smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O 100044618 RZKYEQDPDZUERB-UHFFFAOYSA-N 230.263 2.297 10 50 BECA in-vitro CN(C)c1ccc(/C=C/c2cc[n+](C)n2C)cc1 4014793 VJSJGFNJNLGVCP-UHFFFAOYSA-N 242.346 2.086 10 50 BECA CN(C)c1ccc(CN2CCSCC2)cc1 201550 IGMFFSNCBGYUGY-UHFFFAOYSA-N 236.384 2.301 10 50 BECA Oc1ccc(Cc2ccc(O)c(O)c2O)cc1 2379615 NBTCXIZQSZQNKJ-UHFFFAOYSA-N 232.235 2.100 10 50 BECA Cc1ccc(/C=C2/SC(S)=NC2=O)o1 12403071 UIWYMDIBJKBBKW-QPJJXVBHSA-N 225.294 2.488 10 50 BECA COc1ccc(CNc2ccccn2)c(O)c1 4559216 OLSHIGRVCLMZIR-UHFFFAOYSA-N 230.267 2.408 10 50 BECA CN(C)c1ccc([C@H]2NCCS2)cc1 245513 ISSWNDGJXPGDPC-NSHDSACASA-N 208.330 2.088 10 50 BECA CCCc1cc(=O)oc2cc(O)c(O)cc12 8764802 NCUJEKUJNOKYLB-UHFFFAOYSA-N 220.224 2.157 10 50 BECA biogenic CC(=O)C(=O)c1cccc(C(F)(F)F)c1 1529064 NAUVRZPTOJDWNX-UHFFFAOYSA-N 216.158 2.477 10 50 BECA in-vitro CN(C)Cc1ccc(C(F)(F)F)cc1O 2540354 ACGHPOOIDADYOS-UHFFFAOYSA-N 219.206 2.473 10 50 BECA O=C1CC(=O)c2c(Br)cccc21 138493570 SQBHQKFWZYZVAT-UHFFFAOYSA-N 225.041 2.218 10 50 BECA O=C1C(=O)c2c(nc3ccccn23)-c2ccccc21 13284622 IZHWBPIMZQNSMU-UHFFFAOYSA-N 248.241 2.380 10 50 BECA O=C(O)/C=C/C[C@H]1CC(=O)c2ccccc2C1=O 102320476 DJCBHJOIJZQYEE-HMVTZJNGSA-N 244.246 2.103 10 50 BECA CC1CCN(c2ccc(CN)cc2)CC1 2538800 PTNLGUVQBDMODF-UHFFFAOYSA-N 204.317 2.382 10 50 BECA in-vitro CN(C)c1ccc(/N=N/c2nnc[nH]2)cc1 4338281 IPCNWVBOSBWGHT-FYWRMAATSA-N 216.248 2.286 10 50 BECA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\O 100501577 QINDUTLRWPDQKV-XFFZJAGNSA-N 216.240 2.159 10 50 BECA Cc1cc(C)c2c(N)c(C(=O)O)sc2n1 19229971 DHDJIMYHPMEMTR-UHFFFAOYSA-N 222.269 2.194 10 50 BECA in-vitro CCOC(=O)c1sc2nc(C)ccc2c1N 196714 KRCQFLONSCMKHX-UHFFFAOYSA-N 236.296 2.364 10 50 BECA Cc1ccc2c(c1)N(C(=O)CN=[N+]=[N-])CCO2 229004911 KNPKAQGCQGZSRU-UHFFFAOYSA-N 232.243 2.031 10 50 BECA Cc1cc(Cl)n(-c2ccc(N)cc2)n1 23128313 VSYCWOMZFXEECG-UHFFFAOYSA-N 207.664 2.416 10 50 BECA COC[C@H](C)NCc1ccc(OC)c(C)c1 275578 YTDQYAFWVQNSKP-NSHDSACASA-N 223.316 2.128 10 50 BECA CC(C)C/C=C1/SC(=S)NC1=O 6255631 LKOOCXOXDRLCCD-GQCTYLIASA-N 201.316 2.064 10 50 BECA Cc1ccc(C(=O)Nc2ccc(N)cc2)o1 19093825 ZNLDWGQJCVKSBK-UHFFFAOYSA-N 216.240 2.423 10 50 BECA in-vitro Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 38056443 UHXWYRZDBITALP-UHFFFAOYSA-N 231.211 2.364 10 50 BECA CCN(CC)c1ccc(CNc2ncn[nH]2)cc1 4935051 SEYAPKPVDOCENV-UHFFFAOYSA-N 245.330 2.263 10 50 BECA O=C1CSC(=S)N1c1ccccc1 1045727 DVRWEKGUWZINTQ-UHFFFAOYSA-N 209.295 2.051 10 50 BECA biogenic CCCNC(=O)CCCc1ccc(N)cc1 45027573 WXAMFSICMCNUNU-UHFFFAOYSA-N 220.316 2.118 10 50 BECA COc1ccc(CNc2nccs2)c(O)c1 206240 HVVLVUPKVBHQTF-UHFFFAOYSA-N 236.296 2.469 10 50 BECA Nc1ccc(COCC(F)(F)F)cc1 20282530 PIGIRAKZYCRBBC-UHFFFAOYSA-N 205.179 2.348 10 50 BECA in-vitro C[C@@H]1SC(=S)N(c2ccccc2)C1=O 1225424 WKBKYNUBRWILMY-ZETCQYMHSA-N 223.322 2.440 10 50 BECA Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 1706915 MAPWYRGGJSHAAU-UHFFFAOYSA-N 242.282 2.495 10 50 BECA COC(=O)c1ccc(Oc2ccc(N)cn2)cc1 116602726 FVRVBCOSFDAHGU-UHFFFAOYSA-N 244.250 2.243 10 50 BECA Oc1ccc(Cc2ccccc2)c(O)c1O 33861529 UJWRVYWLRMVCIR-UHFFFAOYSA-N 216.236 2.394 10 50 BECA in-vitro CCN(CC)Cc1c(O)ccc(C(C)=O)c1O 31959952 PYRLSMOFMVGQMX-UHFFFAOYSA-N 237.299 2.142 10 50 BECA Cc1ccc(C(=O)O)cc1OCCN=[N+]=[N-] 306147541 FELMRRVPJNTLEX-UHFFFAOYSA-N 221.216 2.382 10 50 BECA O=C1CCC(=O)c2c1c(O)c1ccccc1c2O 100014175 FVXPBEUYCCZFJT-UHFFFAOYSA-N 242.230 2.410 10 50 BECA biogenic,in-vitro Nc1ccc(OC(=O)c2ccc(N)cc2)cc1 34572291 LOCTYHIHNCOYJZ-UHFFFAOYSA-N 228.251 2.070 10 50 BECA in-vitro Cc1ccc(/C=C2\SC(=S)NC2=O)cc1 1304776 RAXPMQHOSGNELK-TWGQIWQCSA-N 235.333 2.484 10 50 BECA in-vitro COc1cccc(N2C(=O)CSC2=S)c1 1220968 RREGYXSCJUSZCE-UHFFFAOYSA-N 239.321 2.060 10 50 BECA Nc1ccc(-n2cc(Br)cn2)cc1 11920549 HCCGFLDVFPCSOV-UHFFFAOYSA-N 238.088 2.217 10 50 BECA O=C1CSC(=S)N1C1CCCCC1 1093049 BXVOWLRQAIOPFZ-UHFFFAOYSA-N 215.343 2.179 10 50 BECA in-vitro [N-]=[N+]=NCC(=O)Nc1cccc(Cl)c1O 1775973573 UYVPSLZJVZJNCM-UHFFFAOYSA-N 226.623 2.294 10 50 BECA O=c1oc2c(O)c(O)ccc2c2c1CCCC2 393217 MXBLPWAUEWFCJU-UHFFFAOYSA-N 232.235 2.083 10 50 BECA biogenic Cc1ccccc1N1C(=O)CSC1=S 968537 QRUHQDWJIHNEJU-UHFFFAOYSA-N 223.322 2.360 10 50 BECA CCC(=O)NCc1ccc(N2CCCC2)cc1 49740421 WTVFENFXDXNTPW-UHFFFAOYSA-N 232.327 2.313 10 50 BECA CC(C)=C1C(=O)NN(c2ccc(C)c(C)c2)C1=O 5015160 QMZRTCPAHCUITG-UHFFFAOYSA-N 244.294 2.018 10 50 BECA Cc1c(Cl)c(=O)oc2c(O)c(O)ccc12 336187 QAZKNKBOVBHCEU-UHFFFAOYSA-N 226.615 2.166 10 50 BECA NCc1cc(Cl)c2cccnc2c1O 27652957 SQCZWJHTVFDEGE-UHFFFAOYSA-N 208.648 2.053 10 50 BECA CC1=C[C@H]2[C@H]1[C@H]1C=C[C@H]2C(C#N)(C#N)C1(C#N)C#N 101044318 HABBFKJMEGFPHD-LPWJVIDDSA-N 246.273 2.062 10 50 BECA C[C@H]1SC(=S)N(c2ccccc2)C1=O 1225425 WKBKYNUBRWILMY-SSDOTTSWSA-N 223.322 2.440 10 50 BECA Cc1ncc(CNCc2cccc(F)c2O)o1 397906410 ZCYQSUPREZRZGG-UHFFFAOYSA-N 236.246 2.118 10 50 BECA Cc1ccc(C)n1-c1cc(C(=O)O)ccc1O 266927 VGMWQYFVGDAXSK-UHFFFAOYSA-N 231.251 2.498 10 50 BECA in-vitro CCCCCCN1C(=O)CSC1=S 11692209 LPASVVQQHVDHIG-UHFFFAOYSA-N 217.359 2.427 10 50 BECA in-vitro Cc1ccc(/C=C2\SC(=S)N(C)C2=O)o1 12407075 MJFRUBVQKHQTIE-YVMONPNESA-N 239.321 2.419 10 50 BECA CC(C)(C)OC(=O)NCCc1ccc(N)cc1 1643437 HOPALBZGTWDOTL-UHFFFAOYSA-N 236.315 2.336 10 50 BECA Oc1ccc(-c2ccccc2O)cc1O 225717419 UYOVCAARQQEQMW-UHFFFAOYSA-N 202.209 2.470 10 50 BECA C[C@@H](N[C@@H]1CCC[C@H]1O)c1cc(F)ccc1O 585086979 YZRSGAZIRQRZRX-XTWCZFFVSA-N 239.290 2.095 10 50 BECA [N-]=[N+]=NCCOc1ccc(F)cc1C(=O)O 306147538 BJLOSQQAPBQFTP-UHFFFAOYSA-N 225.179 2.213 10 50 BECA CNCc1ccc(N2CCCCC2)cc1 3880952 ABHBNGLDUNAXSR-UHFFFAOYSA-N 204.317 2.396 10 50 BECA in-vitro COc1cccc(CNc2nccs2)c1O 206238 BBCYPLDJAJKESM-UHFFFAOYSA-N 236.296 2.469 10 50 BECA COC(=O)c1ccnc(Oc2ccc(N)cc2)c1 83251933 BZOPUUMFDOHTEY-UHFFFAOYSA-N 244.250 2.243 10 50 BECA Nc1ncnc(N)c1/N=N/c1ccccc1 100055493 SNBUOLJXURTGNE-FOCLMDBBSA-N 214.232 2.056 10 50 BECA CC(C)(C)[C@@]12C=C[C@@H](C(=O)C1=O)[C@@H]1C=C[C@H]12 230118630 MEAXPGNODDHKLO-HGUJLJSRSA-N 216.280 2.159 10 50 BECA CC(C)[C@@H](Sc1nccs1)C(=O)O 337171 ZDXXWCXXFHVLIK-ZCFIWIBFSA-N 217.315 2.344 10 50 BECA O=C1c2ccncc2C(=O)c2c(F)ccc(F)c21 34218589 SCOHHAVQFVXLPO-UHFFFAOYSA-N 245.184 2.135 10 50 BECA Cc1n[nH]c(C)c1Cc1ccc(N)cc1 526929 NRJBRDIARLROID-UHFFFAOYSA-N 201.273 2.200 10 50 BECA in-vitro C[C@@H](N)c1ccc(N2CCCC2)c(F)c1 19871949 DOCVWDPHZQAAFV-SECBINFHSA-N 208.280 2.446 10 50 BECA O=S(=O)(Nc1ccc(O)cc1)c1ccccc1 134049 WHZPMLXZOSFAKY-UHFFFAOYSA-N 249.291 2.193 10 50 BECA CC[C@H](CCO)CNCc1cc(F)ccc1O 226616650 XITLFYSAVKCSEN-SNVBAGLBSA-N 241.306 2.030 10 50 BECA Cc1ccc2c(c1O)C(=O)c1ccccc1C2=O 4783164 CZODYZFOLUNSFR-UHFFFAOYSA-N 238.242 2.476 10 50 BECA biogenic,in-vitro CN(C)c1ccc(/C=C/CN2CCOCC2)cc1 23281450 PCSCBFBHLUAUTB-ONEGZZNKSA-N 246.354 2.098 10 50 BECA Nc1ccc(Oc2ccc(N)c(N)c2)cc1 267305 MPKIJEUTPZPJFP-UHFFFAOYSA-N 215.256 2.226 10 50 BECA CC[C@@](C)(O)CNCc1cc(C)c(C)cc1O 742370039 OCWZKUHLPPCUTG-CQSZACIVSA-N 237.343 2.260 10 50 BECA Nc1ccc(Cc2ccc(N)c([N+](=O)[O-])c2)cc1 5224071 DREOOBOSZQPXRE-UHFFFAOYSA-N 243.266 2.350 10 50 BECA CN(C)C(=O)c1ccc(CN=[N+]=[N-])cc1 97674825 ONTYOXLGUBPRRB-UHFFFAOYSA-N 204.233 2.199 10 50 BECA Oc1ccc(F)cc1CNCC(F)(F)F 231788440 HCEHJYUUHXCMAG-UHFFFAOYSA-N 223.169 2.183 10 50 BECA CCOC(=O)C1CCN(c2ccc(N)cc2)CC1 169809 JXCDVJXPSHIHLP-UHFFFAOYSA-N 248.326 2.048 10 50 BECA in-vitro Cc1cc(C)c2c(/N=N/N(C)C)n[nH]c2n1 100493573 JMNXSSAHFLUAIV-CCEZHUSRSA-N 218.264 2.135 10 50 BECA C/C=C(\C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 186409837 LYGORJWOLLIXFC-LLGDCAAFSA-N 249.310 2.111 10 50 BECA Oc1n[n+](-c2ccc(F)cc2)cc2ccccc12 8762868 SYZGUNBSDWAMQC-UHFFFAOYSA-O 241.245 2.356 10 50 BECA Cc1cc2c(cc1O)C(=O)c1ccccc1C2=O 14488654 RNJHIYAJJKOFIO-UHFFFAOYSA-N 238.242 2.476 10 50 BECA biogenic,in-vitro COc1ccc(N2CCCCC2)c(C(=O)O)c1 136702290 ZQEWAKSVSODFQG-UHFFFAOYSA-N 235.283 2.384 10 50 BECA CC1=NN(c2ccccc2)C(=O)/C1=C(/C)O 100408572 PJAOQXCMQQJOMV-LUAWRHEFSA-N 216.240 2.241 10 50 BECA O=C(Cc1ccccc1)c1ccc(O)c(O)c1O 314910 YYKGZYGSFFMVEP-UHFFFAOYSA-N 244.246 2.229 10 50 BECA O=C1NC(=S)SC1=C1CCCCC1 5413237 GFDLUSAUGSDHAD-UHFFFAOYSA-N 213.327 2.353 10 50 BECA Nc1ccc(NC(=O)c2ccco2)cc1 123101 HWMFFWCDLWDYGX-UHFFFAOYSA-N 202.213 2.114 10 50 BECA in-vitro Nc1noc(N)c1/N=N/c1ccccc1 4342625 IRBYVDQDSTVWIG-OUKQBFOZSA-N 203.205 2.254 10 50 BECA [N-]=[N+]=NCCn1ccc2ccccc2c1=O 123816188 USVGUTWEDJPJIY-UHFFFAOYSA-N 214.228 2.312 10 50 BECA Oc1ccc2ccccc2c1CN1CCOCC1 19229538 VNKDDFRRCCZWOU-UHFFFAOYSA-N 243.306 2.378 10 50 BECA C=CC(=O)N[C@@H](CC)c1ccccc1O 1875366546 WCSXGDBDUIXEJY-JTQLQIEISA-N 205.257 2.146 10 50 BECA Nc1ccc(Cn2nnc3ccccc32)cc1 170382 GJSIHNFDWYIROW-UHFFFAOYSA-N 224.267 2.062 10 50 BECA CCOCCCNCc1ccc(N(C)C)cc1 2178108 NWALHKHBLFLIIF-UHFFFAOYSA-N 236.359 2.269 10 50 BECA [N-]=[N+]=NC[C@H]1CCCCN(CCCC(=O)O)C1 1616037907 CRLXHYSONRTYOX-SNVBAGLBSA-N 240.307 2.264 10 50 BECA CCn1ccc(NCc2cc(F)ccc2O)n1 306035364 XJFGMUOIUACWJQ-UHFFFAOYSA-N 235.262 2.360 10 50 BECA O=[N+]([O-])c1c(Cl)cc(Cl)c2nonc12 1304802 SCVFVTLATGCDGT-UHFFFAOYSA-N 233.998 2.438 10 50 BECA O=C(O)[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]12 4011520 MYWYIHKEXNJAGX-VDDIYKPWSA-N 233.242 2.364 10 50 BECA COc1ccc(CN2CCCCC2)c(O)c1 23281640 XEGSSXDPIOGZPU-UHFFFAOYSA-N 221.300 2.387 10 50 BECA CN(C)c1ccc([C@@H]2NCCS2)cc1 245516 ISSWNDGJXPGDPC-LLVKDONJSA-N 208.330 2.088 10 50 BECA CN(C)c1ccc(/C=C2\CCOC2=O)cc1 1591955 GQHNDMLBKQUGIZ-PKNBQFBNSA-N 217.268 2.083 10 50 BECA [N-]=[N+]=C1c2ccccc2C(=O)c2ccccc21 4531955 ZAMUDYFFFFHBNY-UHFFFAOYSA-N 220.231 2.298 10 50 BECA Cc1nn(C)c(C)c1Cc1ccc(N)cc1 528303 BOBCYKUSNGRRRP-UHFFFAOYSA-N 215.300 2.210 10 50 BECA Cc1ncsc1-c1ccc(CN)c(O)c1 223321133 FEERNGCQHPIBTC-UHFFFAOYSA-N 220.297 2.283 10 50 BECA CC(C)[C@H](Sc1nccs1)C(=O)O 337170 ZDXXWCXXFHVLIK-LURJTMIESA-N 217.315 2.344 10 50 BECA Cc1ccc(O)c(CCc2ccc(N)cc2)n1 186987 ZXLBJCOZJNHUJN-UHFFFAOYSA-N 228.295 2.463 10 50 BECA biogenic O=S1(=O)Nc2ccccc2-c2ccccc2N1 482048 CPCWVQFWKOBTMK-UHFFFAOYSA-N 246.291 2.436 10 50 BECA O=C(O)[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]12 195305754 LXSOGZGNQOAWFM-LPBBDHJYSA-N 233.242 2.364 10 50 BECA C[C@@]12C[C@@]1(C)C(=O)c1ccccc1C2=O 391291 LIBAWDOMKHCHSJ-STQMWFEESA-N 200.237 2.482 10 50 BECA Cc1cc(C)nc(Nc2ccc(N)cc2)n1 154213 SFVBOQCTJBQABR-UHFFFAOYSA-N 214.272 2.419 10 50 BECA in-vitro Nc1ccc(OCCN2CCCCC2)cc1 4938418 VTBHKDHFDNLZNG-UHFFFAOYSA-N 220.316 2.134 10 50 BECA in-vitro [N-]=[N+]=NCCOc1cccc(CC(=O)O)c1 306147559 YLOFYTGRJASELK-UHFFFAOYSA-N 221.216 2.003 10 50 BECA CCc1cc(=O)oc2c(CN(C)C)c(O)ccc12 489255 MJEVBCZXAOTUNA-UHFFFAOYSA-N 247.294 2.123 10 50 BECA biogenic CC(C)NC(C)(C)C(=O)c1ccc(O)c(O)c1 96027095 KBIXQOLKSLZYTN-UHFFFAOYSA-N 237.299 2.057 10 50 BECA O=C1CC(=O)c2cc(Br)ccc21 135922391 ADTNQTYUZPHLAS-UHFFFAOYSA-N 225.041 2.218 10 50 BECA in-vitro Nc1cccc(F)c1N[C@H]1CC[C@H](O)CC1 255189537 QMKNUGVOFMXQFA-KYZUINATSA-N 224.279 2.123 10 50 BECA CC(C)CCOC(=O)c1cc(O)c(O)c(O)c1 1461351 YBMTWYWCLVMFFD-UHFFFAOYSA-N 240.255 2.006 10 50 BECA in-vitro Nc1c(C(=O)O)sc2nc3c(cc12)CCCC3 2211747 QGKHXXVKKOXGHU-UHFFFAOYSA-N 248.307 2.456 10 50 BECA CCOC(=O)[C@H](N=Nc1ccccc1)C(C)=O 256012640 YBKOBYPTHJKDFK-LLVKDONJSA-N 234.255 2.291 10 50 BECA C[C@]12C[C@]1(C)C(=O)c1ccccc1C2=O 100807971 LIBAWDOMKHCHSJ-CHWSQXEVSA-N 200.237 2.482 10 50 BECA [N-]=[N+]=NCC(=O)N1CCCc2ccccc21 104703221 XDXPESURCZGPFU-UHFFFAOYSA-N 216.244 2.276 10 50 BECA O=C1c2ccccc2C(=O)c2c(O)cccc21 3875850 BTLXPCBPYBNQNR-UHFFFAOYSA-N 224.215 2.168 10 50 BECA biogenic,in-vitro Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 3874029 XOGPDSATLSAZEK-UHFFFAOYSA-N 223.231 2.044 10 50 BECA biogenic,in-vitro CC(C)C/[N+]([O-])=N\OCO/N=[N+](/[O-])CC(C)C 16309642 RSAIRKZESAUABD-DCIPZJNNSA-N 248.283 2.044 10 50 BECA O=C(c1ccccc1)c1ccc(O)c(O)c1 262158 ARWCZKJISXFBGI-UHFFFAOYSA-N 214.220 2.329 10 50 BECA in-vitro C[C@H]1CCCN(c2ccc(CN)cc2)C1 2538833 LEWCLURGXMYKCP-NSHDSACASA-N 204.317 2.382 10 50 BECA O=C1c2ccccc2C(=O)c2cc(O)ccc21 3896782 GCDBEYOJCZLKMC-UHFFFAOYSA-N 224.215 2.168 10 50 BECA biogenic,in-vitro Cc1c(CCCC(=O)O)cc(O)c(O)c1C 258569426 WGEDFNBFSQAAKL-UHFFFAOYSA-N 224.256 2.122 10 50 BECA Cc1cc(C)nc(Oc2ccc(N)cc2)n1 244246 TWQPYTHNDVDCLI-UHFFFAOYSA-N 215.256 2.468 10 50 BECA in-vitro Cc1cc(C=O)c(C)n1-c1ccccn1 619538 PQMMSSQLSQUPNY-UHFFFAOYSA-N 200.241 2.302 10 50 BECA in-vitro Cc1cccc(Cn2nnc3ccccc32)c1O 5419612 GGGXIGXWRPBMFD-UHFFFAOYSA-N 239.278 2.494 10 50 BECA O=C1Nc2c(Br)cccc2/C1=C/O 213096921 ZVGGRVJPWYFILL-XQRVVYSFSA-N 240.056 2.300 10 50 BECA Oc1ccccc1Cn1nnc2ccccc21 4941459 CFXOATFGYAMSIQ-UHFFFAOYSA-N 225.251 2.185 10 50 BECA O=C1NC(=S)S/C1=C/Nc1ccccc1 12341839 FCNKIZXPLHJALF-SOFGYWHQSA-N 236.321 2.088 10 50 BECA [N-]=[N+]=NCCCCN1C(=O)c2ccccc2C1=O 6117082 ORKCIOAZJQNDJI-UHFFFAOYSA-N 244.254 2.373 10 50 BECA CCSC(=S)NCc1cccnc1 455194 XMIIVENAJRQNNL-UHFFFAOYSA-N 212.343 2.209 10 50 BECA Cc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O 5277130 AFHWNNJNTNLCQF-UHFFFAOYSA-N 238.242 2.476 10 50 BECA biogenic,in-vitro CCc1cc(CN(C)C)c(O)c(CN(C)C)c1 12336445 NRFVYJJGFBUXNQ-UHFFFAOYSA-N 236.359 2.078 10 50 BECA O=C(NCC1CCCC1)c1cccc(O)c1O 126249824 KYONSDKYACDXOL-UHFFFAOYSA-N 235.283 2.018 10 50 BECA O=[N+]([O-])c1ccc(O)c(CN2CCCCC2)c1 277886 VMLGUVWUUWNDNF-UHFFFAOYSA-N 236.271 2.286 10 50 BECA COc1cccc(CNc2cc(C)on2)c1O 403768 RYLRFAFUCQFLPL-UHFFFAOYSA-N 234.255 2.309 10 50 BECA O=C1N=C(S)S/C1=C\c1ccc(O)cc1 4106401 RAYIDZVPIAJJPF-YVMONPNESA-N 237.305 2.292 10 50 BECA in-vitro COc1cccc(CNc2ccccn2)c1O 18143164 MBKLXMDLWISXIS-UHFFFAOYSA-N 230.267 2.408 10 50 BECA CC[C@](C)(O)CNCc1cc(C)c(C)cc1O 742370037 OCWZKUHLPPCUTG-AWEZNQCLSA-N 237.343 2.260 10 50 BECA CCOC(=O)c1sc2ncccc2c1N 171800 HNLWHNQYBCCNLL-UHFFFAOYSA-N 222.269 2.055 10 50 BECA in-vitro Nc1ccc(N2Cc3ccccc3C2=O)cc1 41166394 XMNGQYWDALZQMI-UHFFFAOYSA-N 224.263 2.429 10 50 BECA CSc1nnc2c(n1)OC=Nc1ccccc1-2 199386 XAPFAQBAOMGDOO-UHFFFAOYSA-N 244.279 2.313 10 50 BECA Cc1cc(C(=O)Nc2ccc(N)cc2)co1 19093821 GUTHXYNNQOQQPP-UHFFFAOYSA-N 216.240 2.423 10 50 BECA in-vitro Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 57697 ASHPLDMJLPLKAD-UHFFFAOYSA-N 227.189 2.473 10 50 BECA biogenic,in-vitro CNC(=O)c1cccc(Oc2ccc(N)cc2)c1 95831078 WCAAMQDJUGLXNR-UHFFFAOYSA-N 242.278 2.421 10 50 BECA Oc1ccccc1CNc1cccc2n[nH]nc12 1431750 LPVNEBJKGGDFFF-UHFFFAOYSA-N 240.266 2.276 10 50 BECA Cc1cc(NCc2ccccc2O)no1 40375 MLTXKUCGMXDCPD-UHFFFAOYSA-N 204.229 2.301 10 50 BECA Cc1cc(CO)c(C)n1-c1ccc2c(c1)OCO2 469895 MSKOAPUHDPRKHV-UHFFFAOYSA-N 245.278 2.315 10 50 BECA Oc1ccc(-c2cn3c(n2)SCC3)cc1O 446570 PYPBLOIYODUALV-UHFFFAOYSA-N 234.280 2.067 10 50 BECA O=C1CSC(=S)N1c1ccccc1F 982395 FLOLMOFRTBBMOZ-UHFFFAOYSA-N 227.285 2.190 10 50 BECA Nc1sccc1C(=O)NC1CCCC1 2522261 WDQAZLDCCHSYON-UHFFFAOYSA-N 210.302 2.003 10 50 BECA Nc1ccc(CC(=O)NC2CCCCC2)cc1 20154963 QAYVSVAQUPRBJA-UHFFFAOYSA-N 232.327 2.260 10 50 BECA CC(C)(N)C(C)(C)c1ccc(O)c(O)c1 86032405 FTACXVANFGDUOV-UHFFFAOYSA-N 209.289 2.113 10 50 BECA O=C1NC(=S)S/C1=C\[C@@H]1CC=CCC1 6185669 FEBBHDNTSBKWQL-QHRPWQPMSA-N 225.338 2.375 10 50 BECA CC(C)(C)[C@@]12C=C[C@@H](C(=O)C1=O)[C@H]1C=C[C@@H]12 101051031 MEAXPGNODDHKLO-DLVJRCHESA-N 216.280 2.159 10 50 BECA Cc1cc(C(=O)O)c(C)n1-c1ccc(O)cc1 16577329 ODBKIBCZAKZZCT-UHFFFAOYSA-N 231.251 2.498 10 50 BECA CCNCc1cc(Br)ccc1O 32024673 IHDCKEKALDGXGZ-UHFFFAOYSA-N 230.105 2.264 10 50 BECA in-vitro Cn1ccn(-c2ccc(N)cc2)c1=S 1857533469 RZLKZUOVYNIZPY-UHFFFAOYSA-N 205.286 2.127 10 50 BECA O=C(NCc1ccccc1O)Nc1ccccn1 748325728 UPIGVBCVVSCXAO-UHFFFAOYSA-N 243.266 2.109 10 50 BECA O=C(O)c1sc(C(F)(F)F)cc1O 2559551 VPXDRKKLIQLLJO-UHFFFAOYSA-N 212.148 2.171 10 50 BECA in-vitro Oc1ccc(O)c(CN2CCCCCC2)c1 127433 SZTCEKGTPSYSNP-UHFFFAOYSA-N 221.300 2.474 10 50 BECA Nc1ccc(OC[C@@H]2CCCCO2)cc1 14630119 FLYSJIZWKVCEPU-LBPRGKRZSA-N 207.273 2.217 10 50 BECA in-vitro O=C1CSC(=S)N1Cc1ccccc1 1041008 ZFHVUMCTGGAWBM-UHFFFAOYSA-N 223.322 2.047 10 50 BECA biogenic,in-vitro CCN(CC)Cc1cc(NC(C)=O)ccc1O 41095 BOUCRWJEKAGKKG-UHFFFAOYSA-N 236.315 2.192 10 50 BECA in-vitro COc1ccc(O)c(CN2CCCCC2)c1 4986434 IOGLVKPXYMONBP-UHFFFAOYSA-N 221.300 2.387 10 50 BECA Cc1cccc(C(=O)C(=O)c2cccc(C)n2)n1 1689950 GXRQKSBITVLBQD-UHFFFAOYSA-N 240.262 2.159 10 50 BECA Cc1cc(=O)c2c(O)c(O)c3occc3c2o1 71774261 DTPJOUUXECRHCV-UHFFFAOYSA-N 232.191 2.259 10 50 BECA O=C(O)[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]12 4245158 WRJCENKZISEXPF-MKPLZMMCSA-N 215.252 2.225 10 50 BECA in-vitro C/C=C(\C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 186409850 LYGORJWOLLIXFC-WXLQGSQKSA-N 249.310 2.111 10 50 BECA CC(C)(C)[C@@]12C=C[C@@H](C(=O)C1=O)[C@H]1C=C[C@H]12 254601113 MEAXPGNODDHKLO-NZHONMPCSA-N 216.280 2.159 10 50 BECA COC(=O)c1sc2nc(C)cc(C)c2c1N 206364 ZMZJLJJFYBUPKH-UHFFFAOYSA-N 236.296 2.282 10 50 BECA CC(=O)C(N=Nc1ccccc1)C(C)=O 250520655 KZPRCESDIPAEAE-UHFFFAOYSA-N 204.229 2.317 10 50 BECA CN(C)/N=N\c1cccc(/C=C/C(=O)O)c1 5009778 ZQDCXYBLIZTDMQ-BWLOLTEUSA-N 219.244 2.345 10 50 BECA COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 80464 UZSOIZZSGQKUTA-CWSCBRNRSA-N 245.278 2.234 10 50 BECA in-vitro Oc1cccc(/C=C/Br)c1O 685964085 USOMFLWRDCQORB-SNAWJCMRSA-N 215.046 2.463 10 50 BECA COc1ccccc1Oc1ccc(N)cn1 380427 OBQXIUWONSOVRH-UHFFFAOYSA-N 216.240 2.465 10 50 BECA in-vitro O=C1CC23CC=CCC2(CC=CC3)C1=O 101002657 JIKJZRKJNIJERT-UHFFFAOYSA-N 202.253 2.201 10 50 BECA O=C(O)[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 4245156 WRJCENKZISEXPF-PTOFAABTSA-N 215.252 2.225 10 50 BECA in-vitro Cc1nonc1N=Nc1ccc(O)c(C=O)c1 245296682 ONXDREBRQNDEFW-UHFFFAOYSA-N 232.199 2.312 10 50 BECA CCn1c(C)nc2c(CN(C)C)c(O)ccc21 229605 UFLCETROQCQXQD-UHFFFAOYSA-N 233.315 2.132 10 50 BECA Nc1ccc(OCc2nccs2)cc1 19779341 GCEZLMMEIKFDNX-UHFFFAOYSA-N 206.270 2.304 10 50 BECA in-vitro CN(C)c1ccc(-c2nc3c(cnn3C)[nH]2)cc1 823736180 CNXZOEJHKSOJBD-UHFFFAOYSA-N 241.298 2.029 10 50 BECA COC(=O)c1sc(C(F)(F)F)cc1O 2559550 FUICUPYQNGFYSP-UHFFFAOYSA-N 226.175 2.259 10 50 BECA O=C1c2ccccc2C(=O)c2ccccc21 3847491 RZVHIXYEVGDQDX-UHFFFAOYSA-N 208.216 2.462 10 50 BECA biogenic,in-vivo CC(C)(C)c1cnnn1-c1ccc(N)cc1 192395 YEGZXBRJUWNFQZ-UHFFFAOYSA-N 216.288 2.147 10 50 BECA Cc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O 4046521 OXVAXZGMGHCGLC-UHFFFAOYSA-N 247.294 2.177 10 50 BECA biogenic [N-]=[N+]=NC[C@@H]1CCCCN(CCCC(=O)O)C1 1616037904 CRLXHYSONRTYOX-JTQLQIEISA-N 240.307 2.264 10 50 BECA CC(C)(C)OC(=O)Cc1ccc(N)cc1 1494939 OOPUFXZJWLZPLC-UHFFFAOYSA-N 207.273 2.153 10 50 BECA CC[C@@H](CCO)CNCc1cccc(F)c1O 158811549 AWBHWSIJLPCVDF-JTQLQIEISA-N 241.306 2.030 10 50 BECA COc1cccc(Oc2ccc(N)cn2)c1 316806 MZXBOWPVJDFSKP-UHFFFAOYSA-N 216.240 2.465 10 50 BECA in-vitro O=C1NC(=S)S/C1=C\[C@H]1CC=CCC1 25626647 FEBBHDNTSBKWQL-VQKCLUMFSA-N 225.338 2.375 10 50 BECA CC(C)(C)OC(=O)CCOCCN=[N+]=[N-] 79016723 YQLWGRGAPJGNNQ-UHFFFAOYSA-N 215.253 2.045 10 50 BECA in-vitro CCC1=S=C(N(C)C)SC1=S 334138467 DTQFTECKOIIGHA-UHFFFAOYSA-N 205.373 2.025 10 50 BECA C[C@@H]1CCCN(c2ccc(CN)cc2)C1 11757269 LEWCLURGXMYKCP-LLVKDONJSA-N 204.317 2.382 10 50 BECA CC1(Br)C(=O)c2ccccc2C1=O 39965 BIMDSJFMUANEFX-UHFFFAOYSA-N 239.068 2.219 10 50 BECA [N-]=[N+]=NCCOc1cccc(C(=O)O)c1 306147534 ALPHSRHVOVASRB-UHFFFAOYSA-N 207.189 2.074 10 50 BECA CC1=NNC(=O)C1=CNc1ccc(Cl)cc1 2042436060 ZLBSFUSQBLOUJQ-UHFFFAOYSA-N 235.674 2.142 10 50 BECA Cc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1 3190209 LWXAMCVRKGTPEK-UHFFFAOYSA-N 246.262 2.215 10 50 BECA Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1 38056442 GECIETOJBRPOME-UHFFFAOYSA-N 231.211 2.364 10 50 BECA CC(C)(C)[C@@]12C=C[C@@H](C(=O)C1=O)[C@@H]1C=C[C@@H]12 216451317 MEAXPGNODDHKLO-AEISUSGSSA-N 216.280 2.159 10 50 BECA COc1ccc(/N=N/c2c(N)noc2N)cc1 4344088 ABMRCFMNQJXKHJ-BUHFOSPRSA-N 233.231 2.263 10 50 BECA C[C@H](N[C@@H]1CCC[C@H]1O)c1cc(F)ccc1O 248533103 YZRSGAZIRQRZRX-RLCGTCKNSA-N 239.290 2.095 10 50 BECA O=C(Nc1cccc(O)c1)c1ccc(O)c(O)c1 227012094 YJANPZQMTOSVNZ-UHFFFAOYSA-N 245.234 2.056 10 50 BECA Nc1ncccc1OCc1ccccc1 18996118 NMCBWICNRJLKKM-UHFFFAOYSA-N 200.241 2.243 10 50 BECA in-vivo Nc1ccc(Oc2ccn3ncnc3c2)cc1 201989367 NFQOPWXJPJPWLE-UHFFFAOYSA-N 226.239 2.104 10 50 BECA O=C(O)[C@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]12 2481618 LXSOGZGNQOAWFM-GMEUVTARSA-N 233.242 2.364 10 50 BECA O=C(O)[C@H]1Nc2ccccc2[C@H]2C=CC[C@@H]12 2381317 WRJCENKZISEXPF-UISBYWKRSA-N 215.252 2.225 10 50 BECA in-vitro O=c1oc2cc(O)ccc2c2cc(O)c(O)cc12 95617867 HHXMEXZVPJFAIJ-UHFFFAOYSA-N 244.202 2.063 10 50 BECA endogenous,in-man Cc1ccc(C)n1-c1ccc(O)cc1C(=O)O 244514 BTNJQFIFTBDRAH-UHFFFAOYSA-N 231.251 2.498 10 50 BECA O=C(C(=O)C(F)(F)F)c1ccccc1 2557925 UXHRDSOEZXQJIO-UHFFFAOYSA-N 202.131 2.001 10 50 BECA Cc1cc(Nc2ccc(N)cc2)ncn1 11849393 FIPLDXJNJGZQTN-UHFFFAOYSA-N 200.245 2.111 10 50 BECA COc1ccc(C(=O)O)c(OCCN=[N+]=[N-])c1 407947248 ZTJLJZBEKKPJTF-UHFFFAOYSA-N 237.215 2.083 10 50 BECA COc1cccc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21 4092677 JIYQEGVUIRJANB-JQEORGNBSA-N 245.278 2.234 10 50 BECA [N-]=[N+]=NCCCOc1ccc(C(=O)O)cc1 306147546 MFZWQBKOFKKZQN-UHFFFAOYSA-N 221.216 2.464 10 50 BECA O=c1cc(CO)oc(/N=N/c2ccccc2)c1O 6227434 IYAYXGSAATZYOC-BUHFOSPRSA-N 246.222 2.253 10 50 BECA CN(C)CCN(C)Cc1cc(Cl)ccc1O 19632630 YRZZDSDKMZJWIU-UHFFFAOYSA-N 242.750 2.039 10 50 BECA CC(C)(Br)C(=O)OCCN=[N+]=[N-] 215867792 OYSXPOJKJKBNSG-UHFFFAOYSA-N 236.069 2.013 10 50 BECA C/C(=C\c1ccc(N(C)C)cc1)[N+](=O)[O-] 12342778 XLLDXYINDPHTJG-CMDGGOBGSA-N 206.245 2.390 10 50 BECA Nc1ccc(N2CCC(N3CCCC3)CC2)cc1 86003122 PDXQNOUULCGZJM-UHFFFAOYSA-N 245.370 2.333 10 50 BECA CCCc1cc(=O)oc2c(O)c(O)ccc12 5547487 PHPUSFBIYOLWBJ-UHFFFAOYSA-N 220.224 2.157 10 50 BECA biogenic Oc1ccc(Cl)cc1CN1CCC[C@@H](O)C1 23281507 GRWOVTMLVYKQCY-LLVKDONJSA-N 241.718 2.002 10 50 BECA O=C1NC(=S)S/C1=C\c1ccc(F)cc1 977257 BQOQSIQMDZUHKF-YVMONPNESA-N 239.296 2.315 10 50 BECA in-vitro Nc1cccc(-c2ccc(O)c(O)c2)c1 138104264 PGDJWYFKZFELEA-UHFFFAOYSA-N 201.225 2.347 10 50 BECA O=C1CSC(=S)N1c1ccc(F)cc1 3887569 KQOPBWMREOTAOQ-UHFFFAOYSA-N 227.285 2.190 10 50 BECA in-vitro COc1ccc(N2C(=O)CSC2=S)cc1 1045049 BEYLABROUJKUBN-UHFFFAOYSA-N 239.321 2.060 10 50 BECA O=C(c1ccccc1)c1ccc(O)c(O)c1O 225866 HTQNYBBTZSBWKL-UHFFFAOYSA-N 230.219 2.034 10 50 BECA biogenic,in-vitro Cc1ccc(O)c(Cn2nnc3ccccc32)c1 5379937 LAMBIKBBPQZYDN-UHFFFAOYSA-N 239.278 2.494 10 50 BECA COC(=O)c1sc2ccccc2c1O 152829 KNSQDHMBDAMMNO-UHFFFAOYSA-N 208.238 2.394 10 50 BECA in-vitro CC(C)(C)OC(=O)NCc1ccccc1O 22053456 SAIZFIRMLDAPKH-UHFFFAOYSA-N 223.272 2.417 10 50 BECA in-vitro C[C@H](N)c1ccc(N2CCCC2)c(F)c1 19871951 DOCVWDPHZQAAFV-VIFPVBQESA-N 208.280 2.446 10 50 BECA O=C(CNC1CCCCC1)c1ccc(O)c(O)c1 53175092 ITQFZQPBSLIEMU-UHFFFAOYSA-N 249.310 2.203 10 50 BECA Oc1ccccc1CNc1nccs1 396729 FUVLIIWCXQIRQM-UHFFFAOYSA-N 206.270 2.461 10 50 BECA Nc1ccc(OC[C@H]2CCCCO2)cc1 14630121 FLYSJIZWKVCEPU-GFCCVEGCSA-N 207.273 2.217 10 50 BECA in-vitro O=C1c2ccccc2C(=O)C1(Cl)Cl 2567214 YZFSRQKSNWFCSD-UHFFFAOYSA-N 215.035 2.240 10 50 BECA O=C(O)[C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21 179767 WRJCENKZISEXPF-HLUHBDAQSA-N 215.252 2.225 10 50 BECA in-vitro CC[C@H](CCO)CNCc1cccc(F)c1O 158811685 AWBHWSIJLPCVDF-SNVBAGLBSA-N 241.306 2.030 10 50 BECA CCOC(=O)[C@@H](/N=N/c1ccccc1)C(C)=O 100077013 YBKOBYPTHJKDFK-JKJHPVACSA-N 234.255 2.291 10 50 BECA Nc1ccc(OCc2ccccn2)cc1 12357652 CGWMMQFGQVDRII-UHFFFAOYSA-N 200.241 2.243 10 50 BECA Cc1c(Cl)c(=O)oc2cc(O)c(O)cc12 2028669 OGYQIRNXVASMDW-UHFFFAOYSA-N 226.615 2.166 10 50 BECA CC(C)(C)OC(=O)NCc1ccc(N)cc1 403427 UXWQXBSQQHAGMG-UHFFFAOYSA-N 222.288 2.294 10 50 BECA in-vitro Cc1cccc([C@@H]2SC(=S)NC2=O)c1C 1319318 TVCAPXFFTYXWCJ-VIFPVBQESA-N 237.349 2.492 10 50 BECA O=C(O)[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]12 4011522 MYWYIHKEXNJAGX-KBVBSXBZSA-N 233.242 2.364 10 50 BECA CC(C)c1cccc(CN2CCOCC2)c1O 31969697 GVCOEDFACFPVMR-UHFFFAOYSA-N 235.327 2.348 10 50 BECA CC(C)(C)OC(=O)N1CC(CN=[N+]=[N-])C1 202703232 SIIQVGKDJCIPMV-UHFFFAOYSA-N 212.253 2.164 10 50 BECA [N-]=[N+]=NCCOc1ccc(C(=O)O)cc1 306147548 NBKCGDWMJCNNCZ-UHFFFAOYSA-N 207.189 2.074 10 50 BECA O=Cc1ccc2c(c1)C(=O)c1ccccc1C2=O 4088117 XBWFYFHSIFEXMY-UHFFFAOYSA-N 236.226 2.275 10 50 BECA biogenic Nc1ccc(NC(=O)C2CCCC2)cc1 8703428 PWYSPESAJXQYHZ-UHFFFAOYSA-N 204.273 2.398 10 50 BECA in-vitro CC1(C)OC(=O)C(=CSC(C)(C)C)C(=O)O1 1404335 LVXLVDUTJGOMAX-UHFFFAOYSA-N 244.312 2.238 10 50 BECA CC(=O)C(=O)c1ccc(C(F)(F)F)cc1 1529067 FAKCECCBNBDCNE-UHFFFAOYSA-N 216.158 2.477 10 50 BECA in-vitro CCOC(=O)[C@H](/N=N/c1ccccc1)C(C)=O 100077009 YBKOBYPTHJKDFK-CLMBFONXSA-N 234.255 2.291 10 50 BECA CN(C)/C=C1/C=C(c2ccccc2)OC1=O 32455542 FUUCTFSVJSWKLR-LUAWRHEFSA-N 215.252 2.030 10 50 BECA COC[C@@H](C)NCc1ccc(OC)c(C)c1 275581 YTDQYAFWVQNSKP-LLVKDONJSA-N 223.316 2.128 10 50 BECA CC[C@@H](CCO)CNCc1cc(F)ccc1O 226616643 XITLFYSAVKCSEN-JTQLQIEISA-N 241.306 2.030 10 50 BECA Nc1ccc(NC(=O)Cc2ccccc2)cc1 569997 LLIVNUAEZMDIOP-UHFFFAOYSA-N 226.279 2.450 10 50 BECA in-vitro [N-]=[N+]=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 100471303 HRCDRHRVDLUEED-JTQLQIEISA-N 230.227 2.474 10 50 BECA Nc1ccc(OCCc2ccccn2)cc1 12397681 JJNGKTZBDIIYMV-UHFFFAOYSA-N 214.268 2.285 10 50 BECA CC(=O)NCc1ccc(N2CCCCC2)cc1 12379537 WVKLNCCFZXTRIU-UHFFFAOYSA-N 232.327 2.313 10 50 BECA CN(C)c1ccc(CNC[C@H]2CCCO2)cc1 360146 SEMLVZRNPBKHTM-CQSZACIVSA-N 234.343 2.021 10 50 BECA CCOc1ccc(OCC)c(C(=O)C(C)=O)c1 2845604 YRQLESBAMUDILX-UHFFFAOYSA-N 236.267 2.256 10 50 BECA Cc1ccc(N2C(=O)CSC2=S)cc1 1228377 UFIUHRONJXVXHC-UHFFFAOYSA-N 223.322 2.360 10 50 BECA in-vitro Cc1cc(C)n(Cc2ccc(N)cc2)n1 2505997 CHUSCRKGELSGLN-UHFFFAOYSA-N 201.273 2.130 10 50 BECA in-vitro CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O 13306865 DPHUWDIXHNQOSY-UHFFFAOYSA-N 240.214 2.258 10 50 BECA biogenic,investigational O=C(O)[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21 218780 MYWYIHKEXNJAGX-YGOYTEALSA-N 233.242 2.364 10 50 BECA CN1N=C(c2cc(Cl)ccc2O)CCC1=O 5510023 NWBUJKHQJZLOCF-UHFFFAOYSA-N 238.674 2.002 10 50 BECA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\O 100503569 SREXIBBFHBZZHA-GHXNOFRVSA-N 230.267 2.468 10 50 BECA Nc1ccc(NC(=O)CCN2CCCCC2)cc1 22167080 KZXUNCAOQFLCBW-UHFFFAOYSA-N 247.342 2.083 10 50 BECA COc1ccc(N2CCCCC2)cc1C(=O)O 14000362 IICPEBHWLVCILJ-UHFFFAOYSA-N 235.283 2.384 10 50 BECA in-vitro COc1ccc(CNc2cc(C)on2)c(O)c1 2544780 FZWDCPDAWWUSEK-UHFFFAOYSA-N 234.255 2.309 10 50 BECA C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 23115174 LNBIUOJXVXIDOK-CHWSQXEVSA-N 248.370 2.362 10 50 BECA Oc1ccc(Cl)cc1CN1CCC[C@H](O)C1 23281509 GRWOVTMLVYKQCY-NSHDSACASA-N 241.718 2.002 10 50 BECA Cc1ccc(OCCN=[N+]=[N-])c(C(=O)O)c1 306147554 RJNWKXCDZUTZLX-UHFFFAOYSA-N 221.216 2.382 10 50 BECA O=C(O)CCc1ccc2cc(O)c(O)cc2c1 1775955407 RCMBIAKOZZUFJS-UHFFFAOYSA-N 232.235 2.268 10 50 BECA O=C(C(=O)c1ccc(O)cc1)c1ccccc1 1705144 IVUXDMQTCNWTDP-UHFFFAOYSA-N 226.231 2.458 10 50 BECA biogenic C[C@H]1C=CC=C[C@H]2C[C@H]1C(C#N)(C#N)C2(C#N)C#N 102187611 DOCDVFWWPJEXAC-RWMBFGLXSA-N 248.289 2.452 10 50 BECA Cc1cc(C=O)c(C)n1-c1ncccc1O 4384385 MLDWCVHLNQVNGV-UHFFFAOYSA-N 216.240 2.007 10 50 BECA Oc1ccc(-c2cn3ccccc3n2)cc1O 238901 JFYGSKNPLRBMMG-UHFFFAOYSA-N 226.235 2.413 10 50 BECA in-vitro Cc1cccc([C@H]2SC(=S)NC2=O)c1C 1319320 TVCAPXFFTYXWCJ-SECBINFHSA-N 237.349 2.492 10 50 BECA CCN(CC)c1ccc(CN2CCOCC2)cc1 19632652 ZTEWRDIKOFWLDY-UHFFFAOYSA-N 248.370 2.365 10 50 BECA Cc1ccc(O)c(CCc2ccc(O)c(O)c2)n1 186980 JBPDBXISNBWIIF-UHFFFAOYSA-N 245.278 2.292 10 50 BECA biogenic CCOc1ccc(C(=O)C(C)=O)c(OCC)c1 2846301 LLVGKXPOIWRQHS-UHFFFAOYSA-N 236.267 2.256 10 50 BECA CN(C)c1ccc(CN2CCCC2)cc1 4981144 VUEBZBJBEKJKAX-UHFFFAOYSA-N 204.317 2.348 10 50 BECA C=CC(=O)N[C@H](CC)c1ccccc1O 1875366547 WCSXGDBDUIXEJY-SNVBAGLBSA-N 205.257 2.146 10 50 BECA OCCNCc1cccc(-c2ccccc2)c1O 1706336 YMNDAJYTDSUEQG-UHFFFAOYSA-N 243.306 2.141 10 50 BECA C[N+]1=C(Cc2ccccc2)c2cccn2CC1 2810102 RYKSICJUGPBTFO-UHFFFAOYSA-N 225.315 2.176 10 50 BECA Cc1ccc(C)n1-c1ccc(C(N)=O)cc1 4620816 VKYBNEKCSPJPNM-UHFFFAOYSA-N 214.268 2.193 10 50 BECA [N-]=[N+]=NCCOc1ccc(CC(=O)O)cc1 60276109 ZTZZDGSHOLHOPX-UHFFFAOYSA-N 221.216 2.003 10 50 BECA Oc1n[n+](-c2ccccc2)cc2ccccc12 15768177 QLSKIUACEWMRCT-UHFFFAOYSA-O 223.255 2.217 10 50 BECA CN1C(=O)/C(=C/c2ccco2)SC1=S 1194726 RZTWYYBSFGCMJM-ALCCZGGFSA-N 225.294 2.111 10 50 BECA Nc1ccc(N2CCN(C3CCCC3)CC2)cc1 8030943 YMVUWEKIXPWCKX-UHFFFAOYSA-N 245.370 2.333 10 50 BECA C[C@]12C[C@@]1(C)C(=O)c1ccccc1C2=O 12478052 LIBAWDOMKHCHSJ-BETUJISGSA-N 200.237 2.482 10 50 BECA C=CC(=O)N1CCCc2ccc(N(C)C)cc2C1 1776003095 VHAMAUHVMBIBLD-UHFFFAOYSA-N 244.338 2.213 10 50 BECA C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)O1 23115177 LNBIUOJXVXIDOK-STQMWFEESA-N 248.370 2.362 10 50 BECA O=C1c2ccccc2C(=O)C1c1ccncc1 100294966 XSPDDUQLHWGPSP-UHFFFAOYSA-N 223.231 2.244 10 50 BECA in-vitro Nc1ccc(CCN2CCCCC2)cc1 2599299 BUEFNCLNVXCFFS-UHFFFAOYSA-N 204.317 2.297 10 50 BECA in-vitro Nc1sccc1C(=O)NCc1ccccc1 6529544 AFEQNWXQUUZCCP-UHFFFAOYSA-N 232.308 2.260 10 50 BECA CN(C)c1ccc(CNCc2cccnc2)cc1 333238 AGRJBHAHZGEPCV-UHFFFAOYSA-N 241.338 2.437 10 50 BECA Nc1ccc(OCC(=O)Nc2ccccc2)cc1 8306615 KQTZCWUMMKEXMG-UHFFFAOYSA-N 242.278 2.286 10 50 BECA Nc1sccc1C(=O)NC1CCCCC1 6830007 VICUWNHRFRBFAD-UHFFFAOYSA-N 224.329 2.393 10 50 BECA COc1cccc(CN2CCCCC2)c1O 4987546 OAUFAYLSMALGMM-UHFFFAOYSA-N 221.300 2.387 10 50 BECA Oc1ccccc1CNc1cccnc1 394927 RNLPSIGSCNHXKF-UHFFFAOYSA-N 200.241 2.399 10 50 BECA O=C(C(=O)c1ccccc1)C(=O)c1ccccc1 1718650 RXVBJUZEFSAYPW-UHFFFAOYSA-N 238.242 2.321 10 50 BECA Nc1ccc(OCCOc2ccc(N)cc2)cc1 1785194 HHDFKOSSEXYTJN-UHFFFAOYSA-N 244.294 2.309 10 50 BECA in-vitro Cc1n[nH]c(/N=N/c2ccc(O)cc2)n1 100262507 ZEUCMUNWWGISSI-WYMLVPIESA-N 203.205 2.234 10 50 BECA CCN1C(=O)C(=C(C)C)SC1=S 1318757 WVKXBVVKEOSDAE-UHFFFAOYSA-N 201.316 2.161 10 50 BECA COc1ccccc1N1C(=O)CSC1=S 1009753 AUYJCFFLRJBPCJ-UHFFFAOYSA-N 239.321 2.060 10 50 BECA CC(=O)C(=O)c1ccc(Br)cc1 2816840 RDZGCSCMCXKNLQ-UHFFFAOYSA-N 227.057 2.221 10 50 BECA in-vitro Cc1ccc(C)n1-c1ccc(-n2cnnn2)cc1 299417 LRZCKAACYZWRGA-UHFFFAOYSA-N 239.282 2.070 10 50 BECA CC(C)c1nc(Cc2ccc(N)cc2)no1 49538579 GHOKCNHWMYMYOH-UHFFFAOYSA-N 217.272 2.366 10 50 BECA Cc1cc(C)nc(N(C)c2ccc(N)cc2)n1 154215 AYLAFPRFEFNRSP-UHFFFAOYSA-N 228.299 2.444 10 50 BECA in-vitro Nc1cccc2c1C(=O)c1ccccc1C2=O 3850741 KHUFHLFHOQVFGB-UHFFFAOYSA-N 223.231 2.044 10 50 BECA biogenic,in-vivo Cn1ccc2c(-c3cncc(O)c3)ccnc21 1236585063 JIUPXKGFVXEIOM-UHFFFAOYSA-N 225.251 2.341 10 50 BECA CC(=O)Nc1ccc(O)c(CN2CCCCC2)c1 2578067 XBINDAWVWKMUDS-UHFFFAOYSA-N 248.326 2.337 10 50 BECA CN(C)c1ccc(CNC[C@@H]2CCCO2)cc1 360148 SEMLVZRNPBKHTM-AWEZNQCLSA-N 234.343 2.021 10 50 BECA Nc1ccc(C(=O)C(=O)c2ccccc2)cc1 2026240 JHBUKUKCTQDSAN-UHFFFAOYSA-N 225.247 2.334 10 50 BECA CCNCC1CCN(Cc2ccccc2O)CC1 131463563 IWHCXGZKVGWRGL-UHFFFAOYSA-N 248.370 2.214 10 50 BECA Nc1c(Cl)cc(Cl)c2nonc12 3101692 LPYPMZSBOBFGBF-UHFFFAOYSA-N 204.016 2.112 10 50 BECA in-vitro Cc1cccc(N2C(=O)CSC2=S)c1 1009749 SWXZAZUMBRCACD-UHFFFAOYSA-N 223.322 2.360 10 50 BECA in-vitro O=C(O)[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21 4011521 MYWYIHKEXNJAGX-HOTUBEGUSA-N 233.242 2.364 10 50 BECA O=S(=O)(Nc1ccccc1)Nc1ccccc1 71773905 ZDZVWJQUOACMTH-UHFFFAOYSA-N 248.307 2.455 10 50 BECA COC(=O)c1scc(Br)c1O 82393 UFTXASQYKJFRKI-UHFFFAOYSA-N 237.074 2.003 10 50 BECA in-vitro COc1ccc(-n2c(C)ccc2C)nc1 105757 CAJDYEQBNDREKH-UHFFFAOYSA-N 202.257 2.498 10 50 BECA O=C(O)[C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21 4245157 WRJCENKZISEXPF-UBHAPETDSA-N 215.252 2.225 10 50 BECA in-vitro CC(=O)C(/N=N/c1ccccc1)C(C)=O 100020324 KZPRCESDIPAEAE-OUKQBFOZSA-N 204.229 2.317 10 50 BECA in-vitro CCOC(=O)[C@@H](N=Nc1ccccc1)C(C)=O 256012641 YBKOBYPTHJKDFK-NSHDSACASA-N 234.255 2.291 10 50 BECA O=C1c2ccccc2C(=O)C1c1ccccn1 100287481 CFFKWZMLWPANQE-UHFFFAOYSA-N 223.231 2.244 10 50 BECA Nc1ccc(Nc2ccncc2[N+](=O)[O-])cc1 4982346 QMHRHIGZPPXSDO-UHFFFAOYSA-N 230.227 2.316 10 50 BECA Nc1ccc(NS(=O)(=O)c2ccccc2)cc1 40631 UGLIOSUKEZPTCF-UHFFFAOYSA-N 248.307 2.070 10 50 BECA O=C(C(=O)c1ccc(O)cc1)c1ccc(O)cc1 2924369 FMYXOBBPXQZKKY-UHFFFAOYSA-N 242.230 2.163 10 50 BECA Nc1ccc(NC(=O)c2ccc(N)cc2)cc1 57106 XPAQFJJCWGSXGJ-UHFFFAOYSA-N 227.267 2.103 10 50 BECA Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O 3873990 ZLCUIOWQYBYEBG-UHFFFAOYSA-N 237.258 2.353 10 50 BECA biogenic,in-vitro COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 169305681 UZSOIZZSGQKUTA-BREBYQMCSA-N 245.278 2.234 10 50 BECA C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 23115176 LNBIUOJXVXIDOK-BETUJISGSA-N 248.370 2.362 10 50 BECA O=C(O)/C=C/C[C@@H]1CC(=O)c2ccccc2C1=O 44123595 DJCBHJOIJZQYEE-XKEGTWDPSA-N 244.246 2.103 10 50 BECA