smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=NCCc1ccc2c(c1)CCO2 83827352 JCEWEFMYMCKRFG-UHFFFAOYSA-N 189.218 2.474 10 20 AECD CN(Cc1ccc(N)cc1)C1CCC1 127167520 ORPDGWGOECUHPT-UHFFFAOYSA-N 190.290 2.253 10 20 AECD c1csc(SCc2cn[nH]c2)n1 141855200 NRQOSRBSJRAQQC-UHFFFAOYSA-N 197.288 2.159 10 20 AECD CC(C)c1n[nH]cc1CN=[N+]=[N-] 409440151 LIZSWRWXIJFRQF-UHFFFAOYSA-N 165.200 2.343 10 20 AECD CCCC(=O)OCc1ccc(N)cc1 585665237 GFNSYKDAZOVGRH-UHFFFAOYSA-N 193.246 2.112 10 20 AECD CC(C)CN(C)c1ccc(N)cc1 20374536 UAOORKWTDYZQFA-UHFFFAOYSA-N 178.279 2.361 10 20 AECD Cc1cc(O)cc(C)c1C=S 40448760 NPVWXOIFFHZJBD-UHFFFAOYSA-N 166.245 2.357 10 20 AECD [N-]=[N+]=NCc1c[nH]nc1-c1ccco1 409442432 ZXNZIDDYBOIVGF-UHFFFAOYSA-N 189.178 2.480 10 20 AECD [N-]=[N+]=NC1Cc2ccccc2C1 38885081 JBTWHOQSNDVASP-UHFFFAOYSA-N 159.192 2.464 10 20 AECD C#CCN(CC)c1ccc(OC)cc1 59152667 OFBGCBBAOWAEPI-UHFFFAOYSA-N 189.258 2.155 10 20 AECD CC/C=C/CNCc1ccccc1O 384876505 HHQCZRCORNVELX-ZZXKWVIFSA-N 191.274 2.448 10 20 AECD C[C@H]1CCN(Cc2ccc(N)cc2)C1 42372042 PNYFWENOIOBNIK-JTQLQIEISA-N 190.290 2.111 10 20 AECD Nc1ccc(N2CC[C@H](CF)C2)cc1 409433321 XVHPCRKMKCMNML-SECBINFHSA-N 194.253 2.065 10 20 AECD CC[C@@H](O)CSc1nccs1 40677086 UTPLEPDJFCESLF-ZCFIWIBFSA-N 189.305 2.006 10 20 AECD CCN[C@@H](C)c1cccc(OC)c1O 1326484875 YHRXFUIQKUFEDU-QMMMGPOBSA-N 195.262 2.071 10 20 AECD Cc1cc(C)c(O)c([C@H](N)C2CC2)c1 238484631 JUQUWNRHLRJWHK-LLVKDONJSA-N 191.274 2.419 10 20 AECD CCC[C@H](N)c1cc(F)ccc1O 82724507 XAMSKXQZFINEJE-VIFPVBQESA-N 183.226 2.331 10 20 AECD Cc1ccc(CNC(C)C)c(O)c1 83340435 XOVUGEGGYJPFCY-UHFFFAOYSA-N 179.263 2.199 10 20 AECD C[C@@H]1C[C@H]1CNc1ccc(N)cc1 166732412 YIFOSMPPSHHBCI-BDAKNGLRSA-N 176.263 2.337 10 20 AECD CCCCCN1CC(N=[N+]=[N-])C1 409424237 TWYMFEIINXOCNS-UHFFFAOYSA-N 168.244 2.171 10 20 AECD CCN[C@@H](C)c1cc(F)ccc1O 34666361 VFWQMLRHHWKXCM-ZETCQYMHSA-N 183.226 2.202 10 20 AECD c1ccc2c(c1)NC[C@H](C1CC1)N2 87262394 RCQKCEYEIPCPHC-LLVKDONJSA-N 174.247 2.303 10 20 AECD Nc1ccc(CNC2CCCC2)cc1 40408812 XGQHSKMIQQAJAF-UHFFFAOYSA-N 190.290 2.301 10 20 AECD CC(C)NCc1ccc2c(c1)CCO2 37362325 AGHYNSGRFXNVLS-UHFFFAOYSA-N 191.274 2.120 10 20 AECD C[C@H]1CCCN1Cc1ccccc1O 132645920 QAILEVRRPRMSDS-JTQLQIEISA-N 191.274 2.377 10 20 AECD Cc1ccc(O)c(CNCC(C)C)c1 70954605 MPEKCKPCQJKMCB-UHFFFAOYSA-N 193.290 2.446 10 20 AECD Nc1ccc(CC(F)F)cc1 212020269 JTNVRWUOMBIQPJ-UHFFFAOYSA-N 157.163 2.076 10 20 AECD CC[C@H](CO)Sc1nccs1 916759204 GCEILIMTQQHKDL-ZCFIWIBFSA-N 189.305 2.006 10 20 AECD CC[C@H](N)c1cc(C)ccc1O 71451341 RFPSOBILTAZPOI-VIFPVBQESA-N 165.236 2.110 10 20 AECD Cc1cccc(O)c1CN1CCCC1 876524811 YXONUROOWGUWAP-UHFFFAOYSA-N 191.274 2.296 10 20 AECD [N-]=[N+]=NC1CN(Cc2cccs2)C1 409422879 JRBGLKZOTIOSPK-UHFFFAOYSA-N 194.263 2.243 10 20 AECD C[C@H]1C[C@H]1CNc1ccc(N)cc1 166732522 YIFOSMPPSHHBCI-IUCAKERBSA-N 176.263 2.337 10 20 AECD Cc1ccc(O)c([C@@H](N)C(C)C)c1 75854051 ZVIBIMORUKDBGP-NSHDSACASA-N 179.263 2.356 10 20 AECD Nc1ccc2c(ccn2CC(F)F)c1 37755964 JBFPEIDVDNRLGR-UHFFFAOYSA-N 196.200 2.489 10 20 AECD C[C@H](Sc1nccs1)[C@@H](C)O 87139940 WIVNZLDODRMMAJ-RITPCOANSA-N 189.305 2.005 10 20 AECD CN(Cc1ccccc1O)C1CCC1 770510151 ZIRXQHRBIYLRMF-UHFFFAOYSA-N 191.274 2.377 10 20 AECD Nc1ccc(O[C@@H]2CCSC2)cc1 107138892 WHAISEPPRUVCQD-SNVBAGLBSA-N 195.287 2.153 10 20 AECD CC(C)(O)CSc1nccs1 40677095 NFGTXXFOBYSBTM-UHFFFAOYSA-N 189.305 2.006 10 20 AECD Cc1cccc(CN(C)C2CC2)c1O 775652762 RPDUEPAQYBSBHU-UHFFFAOYSA-N 191.274 2.295 10 20 AECD CC(C)[C@H](N)c1cc(F)ccc1O 75854056 VKCKBGUGACJHAB-JTQLQIEISA-N 183.226 2.187 10 20 AECD CC(=O)C(=O)c1ccccc1Cl 58520127 CARKZQDAMOFQCY-UHFFFAOYSA-N 182.606 2.112 10 20 AECD C[C@@H](NC1CC1)c1ccccc1O 21969400 DAUYUILYYIJFJS-MRVPVSSYSA-N 177.247 2.205 10 20 AECD CC1(NCc2cc(F)ccc2O)CC1 226609009 YMLGOSJLNXTIJU-UHFFFAOYSA-N 195.237 2.173 10 20 AECD CCN[C@H](C)c1cccc(OC)c1O 1326484874 YHRXFUIQKUFEDU-MRVPVSSYSA-N 195.262 2.071 10 20 AECD Nc1ccc(N2CCC(F)CC2)cc1 224829580 FYQVPINPQYDOLH-UHFFFAOYSA-N 194.253 2.207 10 20 AECD C[C@@H](N)c1cc(F)cc(Cl)c1O 95718376 UVXUFPLCUZBOSL-SCSAIBSYSA-N 189.617 2.204 10 20 AECD [N-]=[N+]=NCCN1CCCC(F)(F)C1 404716891 AVOZRFUCSAMKSW-UHFFFAOYSA-N 190.197 2.028 10 20 AECD CC[C@H](N)c1cc(C)cc(C)c1O 71463558 GLBSXWDVJMMURL-JTQLQIEISA-N 179.263 2.419 10 20 AECD C[C@H]1CCCN1Cc1ccc(N)cc1 37909708 MHRFRIIMMOWZIB-JTQLQIEISA-N 190.290 2.253 10 20 AECD Cc1cccc(O)c1CNCCCF 877091678 MZGKUOVOMVDVCK-UHFFFAOYSA-N 197.253 2.150 10 20 AECD C[C@@H](NC1CC1)c1ccc(F)cc1O 62744655 IOPONAXTODDCLP-SSDOTTSWSA-N 195.237 2.344 10 20 AECD CCN(Cc1ccc(N)cc1)C1CC1 37079402 LZQYQVLBUMMSAW-UHFFFAOYSA-N 190.290 2.253 10 20 AECD Cc1ccc([C@H](C)NCCF)c(O)c1 308520352 HGXKMALUKPDPEB-VIFPVBQESA-N 197.253 2.321 10 20 AECD Cc1ccc(O)c(CNC(C)C)c1 70954553 RHHBORIKEQBMDU-UHFFFAOYSA-N 179.263 2.199 10 20 AECD C[C@H](O)[C@@H](C)Sc1nccs1 87139932 WIVNZLDODRMMAJ-NTSWFWBYSA-N 189.305 2.005 10 20 AECD C[C@H]1C[C@@H]1CNc1ccc(N)cc1 166732292 YIFOSMPPSHHBCI-DTWKUNHWSA-N 176.263 2.337 10 20 AECD CO[C@@H](C)CSc1nccs1 307729272 ISBCAHSAJJXCOJ-LURJTMIESA-N 189.305 2.270 10 20 AECD CCN(C)c1ccc(OC)cc1OC 259053109 KIADKTWZPWXJQQ-UHFFFAOYSA-N 195.262 2.160 10 20 AECD CCc1n[nH]c(CC)c1CN=[N+]=[N-] 409438675 FACFOPKIIYMIEP-UHFFFAOYSA-N 179.227 2.345 10 20 AECD Cc1ccc(C)n1-c1cccc(N)n1 167089283 FPGMVNIXMPMXMR-UHFFFAOYSA-N 187.246 2.071 10 20 AECD CC1(NCc2ccccc2O)CC1 124444879 IOAPTWVKIBSVQA-UHFFFAOYSA-N 177.247 2.034 10 20 AECD Oc1ccccc1CN[C@@H]1C=CCC1 700543294 JEWLQNXQXPNUBZ-LLVKDONJSA-N 189.258 2.200 10 20 AECD CC1(CNc2ccc(N)cc2)CC1 232796719 ZNNCTXCADCFYKF-UHFFFAOYSA-N 176.263 2.481 10 20 AECD Nc1ccc(NC(=O)CC2CC2)cc1 49728695 JLURXSILZDUSPK-UHFFFAOYSA-N 190.246 2.007 10 20 AECD CC[C@@H](N)c1cc(C)ccc1O 71451342 RFPSOBILTAZPOI-SECBINFHSA-N 165.236 2.110 10 20 AECD C/C=C(\C)C(=O)Nc1ccc(N)cc1 308991074 LEGNVGKRJYTJTF-FPYGCLRLSA-N 190.246 2.174 10 20 AECD CC(C)CN(C)Cc1ccccc1O 113750524 BCXYZBRKIHYMCH-UHFFFAOYSA-N 193.290 2.480 10 20 AECD CC[C@@H](C)NCCc1ccc(N)cc1 40408001 ZZGOHSGXPGIPCU-SNVBAGLBSA-N 192.306 2.199 10 20 AECD CC(=O)[C@@H](C)Sc1nccs1 40677235 BKMSAKPFSSBLNS-ZCFIWIBFSA-N 187.289 2.213 10 20 AECD [N-]=[N+]=NCC(=O)c1ccc(F)cc1F 107339271 FEZAYPDYYMXHIE-UHFFFAOYSA-N 197.144 2.458 10 20 AECD C[C@@H]1CCN(Cc2ccccc2O)C1 132660601 WZYCGXXJKZUEPJ-SNVBAGLBSA-N 191.274 2.234 10 20 AECD c1cnc(Sc2nccs2)cn1 306398974 KMSQGABZOZCPGI-UHFFFAOYSA-N 195.272 2.084 10 20 AECD CC(C)(CF)NCc1ccccc1O 379655900 KPHZPXLSMBZIRB-UHFFFAOYSA-N 197.253 2.230 10 20 AECD NCc1ccc(Cl)c(Cl)c1O 82636703 JYNFZSKJUPJJEO-UHFFFAOYSA-N 192.045 2.158 10 20 AECD C[C@@H]1CC[C@@H]1NCc1ccccc1O 306313592 UUUJFXJMXMCZPX-KOLCDFICSA-N 191.274 2.280 10 20 AECD C/C=C/Cc1ccc(N)cc1 82101766 PEVLUWIYRHNNTL-NSCUHMNNSA-N 147.221 2.387 10 20 AECD CC(C)[C@@H](N)c1ccc(N(C)C)cc1 75854067 RXPZUIOWUPHTSU-GFCCVEGCSA-N 192.306 2.408 10 20 AECD C/C=C/COC(=O)c1cc(O)cs1 308308542 PQVPBVGFLXUQJD-NSCUHMNNSA-N 198.243 2.187 10 20 AECD CC[C@H](O)CSc1nccs1 40677085 UTPLEPDJFCESLF-LURJTMIESA-N 189.305 2.006 10 20 AECD [N-]=[N+]=NCCN1CCC(F)(F)CC1 404734234 KVRNRPWABOPYEZ-UHFFFAOYSA-N 190.197 2.028 10 20 AECD Cc1ccc(CN(C)C2CC2)c(O)c1 876580319 IWQVCMFJLNQIGH-UHFFFAOYSA-N 191.274 2.295 10 20 AECD Cc1cccc(CNCC(C)C)c1O 83342024 UXKIWRJKKZJSET-UHFFFAOYSA-N 193.290 2.446 10 20 AECD C[C@H](N)c1cc(Cl)c(F)cc1O 108372113 MDHFNNKXTTUHPA-BYPYZUCNSA-N 189.617 2.204 10 20 AECD c1csc(SCc2ccon2)n1 306444783 PLVXDANFQLLUAX-UHFFFAOYSA-N 198.272 2.423 10 20 AECD CCN(C)c1ccc(OC)cc1 5139248 WBETYEFPZHEIDA-UHFFFAOYSA-N 165.236 2.151 10 20 AECD Oc1ccccc1CNC1CC=CC1 131175865 DYRHUBMNCRFACF-UHFFFAOYSA-N 189.258 2.200 10 20 AECD Cc1ccc(O)c([C@@H](N)C2CC2)c1 95672685 CVTUATVVDRJTQZ-NSHDSACASA-N 177.247 2.110 10 20 AECD COC[C@@H](C)Sc1nccs1 307730081 JYJDBRUAGXZSKF-ZCFIWIBFSA-N 189.305 2.270 10 20 AECD CCCOC(=O)c1cc(O)cs1 379337619 YLGAVEZWTOBGBA-UHFFFAOYSA-N 186.232 2.021 10 20 AECD CC[C@H](C)Nc1ccccc1N 20381581 WYAPIOHQETXJHU-QMMMGPOBSA-N 164.252 2.479 10 20 AECD CC(=O)[C@H](C)Sc1nccs1 40677234 BKMSAKPFSSBLNS-LURJTMIESA-N 187.289 2.213 10 20 AECD CC[C@@H](N)c1cc(C)cc(C)c1O 71463559 GLBSXWDVJMMURL-SNVBAGLBSA-N 179.263 2.419 10 20 AECD Cc1cc(Cl)c(O)c([C@@H](C)N)c1 95781016 KEDSKFICISBEGZ-ZCFIWIBFSA-N 185.654 2.374 10 20 AECD [N-]=[N+]=NCc1ccccc1[N+](=O)[O-] 37206916 RWJRBVYNMRKGAG-UHFFFAOYSA-N 178.151 2.405 10 20 AECD N[C@H](c1cc(Cl)ccc1O)C1CC1 95672758 NDICKVYGWMUVHB-JTQLQIEISA-N 197.665 2.455 10 20 AECD CC(C)N[C@H](C)c1ccccc1O 19880534 IGBHXXQDYLTPIR-SECBINFHSA-N 179.263 2.451 10 20 AECD CCc1ccc(O)c([C@H](N)CC)c1 95781507 RPQMZXIJTURWMR-SNVBAGLBSA-N 179.263 2.364 10 20 AECD CC[C@@H](C)NCc1cc(F)ccc1O 83342740 FZGDHKNMZXEWPV-MRVPVSSYSA-N 197.253 2.419 10 20 AECD CC[C@@H](N)c1cc(F)cc(F)c1O 211708713 WBNLMTUYKVIYQB-MRVPVSSYSA-N 187.189 2.080 10 20 AECD CC(C)N(C)Cc1cc(F)ccc1O 226561594 MRYBLGQKCKTNFT-UHFFFAOYSA-N 197.253 2.372 10 20 AECD C[C@@H](NCCF)c1ccccc1O 308187893 LFERAACBPRAUFK-MRVPVSSYSA-N 183.226 2.012 10 20 AECD CCCN[C@@H](C)c1ccccc1O 19438321 DHBRGJOFHKULPD-VIFPVBQESA-N 179.263 2.453 10 20 AECD N[C@@H](c1cc(F)cc(F)c1O)C1CC1 104515694 VVLMWZJXQSRLPV-SECBINFHSA-N 199.200 2.080 10 20 AECD CC(C)CNCc1cc(F)ccc1O 83342747 HCVKYNVPMFALAG-UHFFFAOYSA-N 197.253 2.277 10 20 AECD C[C@H]1CCN(Cc2ccccc2O)C1 132660797 WZYCGXXJKZUEPJ-JTQLQIEISA-N 191.274 2.234 10 20 AECD [N-]=[N+]=NC1CN(C2CCCCC2)C1 238588294 HRJGJYKPEAAMKH-UHFFFAOYSA-N 180.255 2.314 10 20 AECD [N-]=[N+]=NCC(=O)Nc1ccccc1F 100673017 IDCAESUEKXXHDU-UHFFFAOYSA-N 194.169 2.075 10 20 AECD COc1ccc(CNCCF)cc1C 308552291 QUCAAKJILUFMAK-UHFFFAOYSA-N 197.253 2.063 10 20 AECD CCN(Cc1ccc(N)cc1)C(C)C 37081636 AFKMQBZBQDXUIE-UHFFFAOYSA-N 192.306 2.499 10 20 AECD CN(Cc1ccc(N)cc1)C(C)(C)C 145833261 USBFMYKSJQCYJY-UHFFFAOYSA-N 192.306 2.499 10 20 AECD Cc1ccc(CN2CCCC2)c(O)c1 219618434 BIMNYNLMBZBHKN-UHFFFAOYSA-N 191.274 2.296 10 20 AECD Oc1cccc2c1[C@H](NC1CC1)CC2 257891660 XELDELGBZAPEFR-SNVBAGLBSA-N 189.258 2.132 10 20 AECD CC(C)COCc1ccc(N)cc1 19398199 UTDSNRHGKAMHRX-UHFFFAOYSA-N 179.263 2.441 10 20 AECD Nc1ccc(CN[C@H]2C=CCC2)cc1 1334775306 VMTMUUYPLQEYHJ-LBPRGKRZSA-N 188.274 2.077 10 20 AECD [N-]=[N+]=NCc1cc(C(F)(F)F)n[nH]1 205375121 YLCYHCDPFPMZFU-UHFFFAOYSA-N 191.116 2.239 10 20 AECD COc1ccc(CNC2CC2)cc1C 35052383 VRZFTVMQPTWJAE-UHFFFAOYSA-N 191.274 2.256 10 20 AECD Cc1ccc(O)c(CNCC2CC2)c1 70954656 KDPSJXLSJUJOFV-UHFFFAOYSA-N 191.274 2.200 10 20 AECD CN(CCCF)Cc1ccc(N)cc1 88025682 AKEFQOMWVMUNQK-UHFFFAOYSA-N 196.269 2.060 10 20 AECD O=C(OCC1CC1)c1cc(O)cs1 308429539 YZILWBINNHNRHD-UHFFFAOYSA-N 198.243 2.021 10 20 AECD CO[C@H](C)Sc1nccs1 901478152 SIJIYOGFGKVWEB-YFKPBYRVSA-N 175.278 2.228 10 20 AECD C[C@H](NC1CC1)c1cc(F)ccc1O 87111291 HZKWREHYOGYQRQ-ZETCQYMHSA-N 195.237 2.344 10 20 AECD CCc1cccc(CNC(C)C)c1O 691460394 QZCJOBAZZLKSFD-UHFFFAOYSA-N 193.290 2.453 10 20 AECD CCN[C@@H](C)c1cc(C)ccc1O 35628445 PCVXNFRIZPIWMQ-VIFPVBQESA-N 179.263 2.371 10 20 AECD C[C@@H]1CCN(Cc2ccc(N)cc2)C1 42372041 PNYFWENOIOBNIK-SNVBAGLBSA-N 190.290 2.111 10 20 AECD CCOCn1ccc2cc(N)ccc21 83756049 XVDRCJZBJNQSHF-UHFFFAOYSA-N 190.246 2.218 10 20 AECD CN(CCCF)c1ccc(N)cc1 88025680 NQFUBRXPGLVMEG-UHFFFAOYSA-N 182.242 2.065 10 20 AECD CO[C@@H](C)Sc1nccs1 901478119 SIJIYOGFGKVWEB-RXMQYKEDSA-N 175.278 2.228 10 20 AECD CC1(NCc2ccccc2O)CCC1 160000781 QUGZXDUQXUUUMI-UHFFFAOYSA-N 191.274 2.424 10 20 AECD CN(Cc1ccc(N)cc1)CC1CC1 37865093 KGARIDSELBWKOV-UHFFFAOYSA-N 190.290 2.111 10 20 AECD CN(C(=O)CN=[N+]=[N-])C1CCCCC1 104702506 HWYWBTHKAGNAHW-UHFFFAOYSA-N 196.254 2.088 10 20 AECD CON(C)Cc1cc(C)c(C)cc1O 917065613 FINLSJHIXLKCEY-UHFFFAOYSA-N 195.262 2.002 10 20 AECD [N-]=[N+]=N[C@H]1C[C@H](OCC(F)F)C1 1898196507 JQXJAFMHVFHVFS-URHBZAFASA-N 177.154 2.109 10 20 AECD C[C@H](Oc1ccc(N)cc1)C1CC1 140866964 ZDWMJXDZHCYEND-QMMMGPOBSA-N 177.247 2.446 10 20 AECD CC[C@@H](CO)Sc1nccs1 916759203 GCEILIMTQQHKDL-LURJTMIESA-N 189.305 2.006 10 20 AECD CCNCc1ccc(OC)c(C)c1 35052718 KFFVHBKMLNPGDQ-UHFFFAOYSA-N 179.263 2.113 10 20 AECD c1cc(CSc2nccs2)[nH]n1 307439294 NFAPATDSBRGNPP-UHFFFAOYSA-N 197.288 2.159 10 20 AECD CCC1CN(Cc2ccccc2O)C1 835074596 KFBZEIUXVXWDHZ-UHFFFAOYSA-N 191.274 2.234 10 20 AECD Cc1cc(O)c(CNCCF)cc1C 308727745 HNHNXMCREZCXNW-UHFFFAOYSA-N 197.253 2.068 10 20 AECD C[C@@H](NCC1CC1)c1ccccc1O 19884785 ILJLTFKEDGCTEZ-SECBINFHSA-N 191.274 2.453 10 20 AECD CCN(C)Cc1cc(C)c(C)cc1O 738150928 YPDMCIDYPLVTMT-UHFFFAOYSA-N 193.290 2.461 10 20 AECD CC(=O)CCSc1nccs1 40677175 PPRXPSVLPMTXGF-UHFFFAOYSA-N 187.289 2.214 10 20 AECD [N-]=[N+]=NCc1c[nH]nc1C1CC1 409442032 WDPRXFFIKSOPOI-UHFFFAOYSA-N 163.184 2.097 10 20 AECD CCCNCc1cc(C)ccc1O 70954487 NLDCPSNPNXMIAO-UHFFFAOYSA-N 179.263 2.200 10 20 AECD C[C@@H]1CC[C@H]1NCc1ccccc1O 306313593 UUUJFXJMXMCZPX-MWLCHTKSSA-N 191.274 2.280 10 20 AECD C[C@H](NCCF)c1ccccc1O 308187894 LFERAACBPRAUFK-QMMMGPOBSA-N 183.226 2.012 10 20 AECD CCCNCc1cccc(CC)c1O 691460727 RTWSJXVHXHTXTM-UHFFFAOYSA-N 193.290 2.454 10 20 AECD CCN[C@@H](C)c1cc(OC)ccc1O 19504938 NJZXZULVBYDYAB-QMMMGPOBSA-N 195.262 2.071 10 20 AECD [N-]=[N+]=NCC1(F)CCC1 1898211325 DTIDTOWDVDFNAR-UHFFFAOYSA-N 129.138 2.189 10 20 AECD CCc1ccc(O)c([C@H](N)C2CC2)c1 95781510 MNTWOKSZTVUPLA-GFCCVEGCSA-N 191.274 2.364 10 20 AECD C[C@@H]1CCCN1Cc1ccccc1O 132645725 QAILEVRRPRMSDS-SNVBAGLBSA-N 191.274 2.377 10 20 AECD CC1(C)C[C@@H]1NCc1ccccc1O 45115443 QSIDZVDUVPAIRP-NSHDSACASA-N 191.274 2.280 10 20 AECD CC1CC(NCc2ccccc2O)C1 128866818 FQBKICFNDKFKAO-UHFFFAOYSA-N 191.274 2.280 10 20 AECD CCN(Cc1ccccc1O)C1CC1 770509739 SBISMFAQMVIRJO-UHFFFAOYSA-N 191.274 2.377 10 20 AECD [N-]=[N+]=NCCc1n[nH]c2c1CCCC2 409437881 JOAPIBDYIAUISH-UHFFFAOYSA-N 191.238 2.141 10 20 AECD CCOc1ccc(N(C)CCF)cc1 759342346 IIPYIXGQMSGMOS-UHFFFAOYSA-N 197.253 2.491 10 20 AECD CCOCCSc1nccs1 167012882 AWPYVLPXCDIRIA-UHFFFAOYSA-N 189.305 2.272 10 20 AECD CC(C)(C)NCc1ccccc1O 21963243 YXEWBNFFNOODEO-UHFFFAOYSA-N 179.263 2.280 10 20 AECD C[C@@H](Oc1ccc(N)cc1)C1CC1 140866771 ZDWMJXDZHCYEND-MRVPVSSYSA-N 177.247 2.446 10 20 AECD [N-]=[N+]=N[C@H]1C[C@H](OCC(F)(F)F)C1 1898196806 ZYFINLZVVXXMHB-URHBZAFASA-N 195.144 2.407 10 20 AECD C/C=C\COC(=O)c1cc(O)cs1 308308540 PQVPBVGFLXUQJD-IHWYPQMZSA-N 198.243 2.187 10 20 AECD Cc1cccc(CN2CCCC2)c1O 149453974 ZHAKHQHVWMNOPT-UHFFFAOYSA-N 191.274 2.296 10 20 AECD Cc1ccc(O)c([C@H](N)C2CC2)c1 95659467 CVTUATVVDRJTQZ-LLVKDONJSA-N 177.247 2.110 10 20 AECD Cc1cc(C)c(O)c([C@H](C)N)c1 71463557 WVTSODRKSFVSLT-QMMMGPOBSA-N 165.236 2.029 10 20 AECD CCN(C)c1ccc(OC)c(F)c1 259110960 PCUCONRAXDVRDP-UHFFFAOYSA-N 183.226 2.290 10 20 AECD CC1(C(=O)Nc2ccc(N)cc2)CC1 306439173 NUSKSLXPGVTVMR-UHFFFAOYSA-N 190.246 2.007 10 20 AECD [N-]=[N+]=NCc1c[nH]nc1-c1ccoc1 409440706 OCJLWTISKKXKDE-UHFFFAOYSA-N 189.178 2.480 10 20 AECD CCCNCc1ccc(C)cc1O 83340432 PEPFEXXCOVNIDE-UHFFFAOYSA-N 179.263 2.200 10 20 AECD CCN[C@@H](CC)c1ccccc1O 19519833 JKSUYLDHNVXPKP-JTQLQIEISA-N 179.263 2.453 10 20 AECD Cc1cccc(O)c1CNC(C)C 876910771 MALHXKSQXAMQHU-UHFFFAOYSA-N 179.263 2.199 10 20 AECD CCN[C@H](C)c1ccc(N(C)C)cc1 34840516 NBZBTTFNKDVLAI-SNVBAGLBSA-N 192.306 2.423 10 20 AECD CCC1(NCc2ccccc2O)CC1 379718803 VKVKOAHZYWZFIJ-UHFFFAOYSA-N 191.274 2.424 10 20 AECD N[C@@H](c1cc(Cl)ccc1O)C1CC1 95659540 NDICKVYGWMUVHB-SNVBAGLBSA-N 197.665 2.455 10 20 AECD [N-]=[N+]=NCc1ccc2c(c1)CCO2 409424475 VQNXLTABXPSSTQ-UHFFFAOYSA-N 175.191 2.432 10 20 AECD CC[C@H](N)c1cc(F)cc(F)c1O 104505706 WBNLMTUYKVIYQB-QMMMGPOBSA-N 187.189 2.080 10 20 AECD Cc1ccc(O)c([C@H](C)NCCF)c1 308563713 XJXLUJAIZBOEEV-VIFPVBQESA-N 197.253 2.321 10 20 AECD CC[C@H](N)c1cc(C)c(F)cc1O 238311110 PXPLMIYNZRVDJQ-VIFPVBQESA-N 183.226 2.250 10 20 AECD CCc1ccc(O)c([C@@H](N)CC)c1 95770270 RPQMZXIJTURWMR-JTQLQIEISA-N 179.263 2.364 10 20 AECD C[C@H](N)c1cc(F)cc(Cl)c1O 95714691 UVXUFPLCUZBOSL-BYPYZUCNSA-N 189.617 2.204 10 20 AECD CCN[C@H](C)c1cc(C)ccc1O 35628446 PCVXNFRIZPIWMQ-SECBINFHSA-N 179.263 2.371 10 20 AECD CCc1cccc(CNCCF)c1O 709407173 NZTYWPRREHFNNO-UHFFFAOYSA-N 197.253 2.014 10 20 AECD NCc1cc(Cl)c(Cl)cc1O 83139498 SMPPJJNDVGWPFZ-UHFFFAOYSA-N 192.045 2.158 10 20 AECD CC(C)(C)CN1CC(N=[N+]=[N-])C1 409424026 SJIHHVUCYVEHTI-UHFFFAOYSA-N 168.244 2.027 10 20 AECD CCc1cc(CC)n(CCN=[N+]=[N-])n1 132529435 UFQYDYYBUSAYNG-UHFFFAOYSA-N 193.254 2.318 10 20 AECD Cc1[nH]nc(C2CC2)c1CN=[N+]=[N-] 409438315 CQLSUECXEILHSA-UHFFFAOYSA-N 177.211 2.406 10 20 AECD CCN(CCF)c1ccc(OC)cc1 759331336 YADAKZIKTPSCOP-UHFFFAOYSA-N 197.253 2.491 10 20 AECD CCN[C@@H](C)c1ccc(N(C)C)cc1 34840515 NBZBTTFNKDVLAI-JTQLQIEISA-N 192.306 2.423 10 20 AECD COC(=O)c1ccc(CN=[N+]=[N-])cc1 42390476 WPYTUYIOZGWZJN-UHFFFAOYSA-N 191.190 2.284 10 20 AECD Nc1ccc(OCCC2CC2)cc1 83825683 RMQPLRJVKOKFBU-UHFFFAOYSA-N 177.247 2.448 10 20 AECD CC/C=C\CNCc1ccccc1O 384876499 HHQCZRCORNVELX-UTCJRWHESA-N 191.274 2.448 10 20 AECD Cc1ccc(O)c(CNC2(C)CC2)c1 124451889 DUJYNLHCHVEZJC-UHFFFAOYSA-N 191.274 2.343 10 20 AECD C[C@@H](N)c1cc(Cl)c(F)cc1O 104516726 MDHFNNKXTTUHPA-SCSAIBSYSA-N 189.617 2.204 10 20 AECD CC(C)CNCCc1ccc(N)cc1 40408635 VNSUNSKGWWGADF-UHFFFAOYSA-N 192.306 2.057 10 20 AECD C[C@H]1CC[C@@H]1NCc1ccccc1O 306313595 UUUJFXJMXMCZPX-ONGXEEELSA-N 191.274 2.280 10 20 AECD Nc1ccc(NCC2CC2)cc1 26515625 MDQLCZLSPSVERT-UHFFFAOYSA-N 162.236 2.091 10 20 AECD CCC[C@@H](N)c1cc(F)ccc1O 82724508 XAMSKXQZFINEJE-SECBINFHSA-N 183.226 2.331 10 20 AECD CCOCSc1nccs1 306279187 RLSHMSAGHUTWQP-UHFFFAOYSA-N 175.278 2.229 10 20 AECD CCc1n[nH]c(C)c1CN=[N+]=[N-] 409441991 WARSMJLOBMBGSQ-UHFFFAOYSA-N 165.200 2.091 10 20 AECD CC[C@@H](C)NCc1ccc(N)cc1 40407864 SZPMTBGZJKVYJB-SECBINFHSA-N 178.279 2.157 10 20 AECD c1cnc(Sc2nccs2)nc1 306963033 LBFKGIKIRAOJMC-UHFFFAOYSA-N 195.272 2.084 10 20 AECD COC[C@H](C)Sc1nccs1 307730079 JYJDBRUAGXZSKF-LURJTMIESA-N 189.305 2.270 10 20 AECD CC(C)CN(C)Cc1ccc(N)cc1 32008611 ILIJZUPYVBBUMI-UHFFFAOYSA-N 192.306 2.357 10 20 AECD CN(Cc1cc(F)ccc1O)C1CC1 778996239 KHPNFHSIRHLMHR-UHFFFAOYSA-N 195.237 2.126 10 20 AECD C[C@H](NC1CC1)c1c(O)cccc1F 886487648 MVLXECKAXWKFKS-ZETCQYMHSA-N 195.237 2.344 10 20 AECD Cc1cc(C)c(O)c([C@@H](N)C2CC2)c1 238484380 JUQUWNRHLRJWHK-NSHDSACASA-N 191.274 2.419 10 20 AECD Oc1cccc2c1[C@@H](NC1CC1)CC2 257891656 XELDELGBZAPEFR-JTQLQIEISA-N 189.258 2.132 10 20 AECD Cc1ccc(CNC2(C)CC2)c(O)c1 1330607984 KTCWGIYHNCLACC-UHFFFAOYSA-N 191.274 2.343 10 20 AECD Cc1cccc(CNC(C)C)c1O 83340434 HZEIRDTUHNSJOE-UHFFFAOYSA-N 179.263 2.199 10 20 AECD Cc1cc([C@@H](N)C(C)C)c(O)cc1F 238170190 AKIVIELKFCBESJ-NSHDSACASA-N 197.253 2.496 10 20 AECD [N-]=[N+]=NCc1c[nH]nc1C1CCC1 409440676 NUSQWELZUIJDKE-UHFFFAOYSA-N 177.211 2.488 10 20 AECD CCCN[C@@H]1CCc2cccc(O)c21 306211930 QRYOQCNRNLPBSA-SNVBAGLBSA-N 191.274 2.379 10 20 AECD C[C@@H]1CCCN1Cc1ccc(N)cc1 37909707 MHRFRIIMMOWZIB-SNVBAGLBSA-N 190.290 2.253 10 20 AECD Oc1ccccc1CNCCC1CC1 83893418 OZFGUVFOJUWPHC-UHFFFAOYSA-N 191.274 2.282 10 20 AECD Nc1ccc(N2CC[C@@H](CF)C2)cc1 409433322 XVHPCRKMKCMNML-VIFPVBQESA-N 194.253 2.065 10 20 AECD CC[C@@H](N)c1cc(C)c(F)cc1O 238271601 PXPLMIYNZRVDJQ-SECBINFHSA-N 183.226 2.250 10 20 AECD C[C@H](NC1CC1)c1ccccc1O 21969404 DAUYUILYYIJFJS-QMMMGPOBSA-N 177.247 2.205 10 20 AECD CC1(CNCc2ccccc2O)CC1 224182682 OIIGJFSMVDMWGO-UHFFFAOYSA-N 191.274 2.282 10 20 AECD CCN(C)c1ccc(OC)c(OC)c1 71614699 VKFDPBQBFXWUIJ-UHFFFAOYSA-N 195.262 2.160 10 20 AECD N[C@H](CF)c1cc(Cl)ccc1O 238684038 YFCSVQOEPATSNK-SSDOTTSWSA-N 189.617 2.015 10 20 AECD [N-]=[N+]=NC1CN(Cc2ccccc2)C1 409422964 KECXGHLMNLRJJG-UHFFFAOYSA-N 188.234 2.181 10 20 AECD CCCN[C@H]1CCc2cccc(O)c21 306211928 QRYOQCNRNLPBSA-JTQLQIEISA-N 191.274 2.379 10 20 AECD C[C@@H](NCCCF)c1ccccc1O 388752150 XPVASTOJDCXEQR-SECBINFHSA-N 197.253 2.402 10 20 AECD Cc1cc([C@H](N)C(C)C)c(O)cc1F 238169631 AKIVIELKFCBESJ-LLVKDONJSA-N 197.253 2.496 10 20 AECD [N-]=[N+]=NCc1cccc2c1OCO2 1537962212 ZOOMJJRODVBXOJ-UHFFFAOYSA-N 177.163 2.226 10 20 AECD COCSc1ncc(Cl)s1 849999220 XAGCCEQFAXTHNE-UHFFFAOYSA-N 195.696 2.493 10 20 AECD N[C@H](c1cc(F)cc(F)c1O)C1CC1 211748705 VVLMWZJXQSRLPV-VIFPVBQESA-N 199.200 2.080 10 20 AECD CCCC(=O)N(C)c1ccc(N)cc1 20374018 QAKFWQLNHOOMQF-UHFFFAOYSA-N 192.262 2.032 10 20 AECD Cc1ccc([C@@H](C)NCCF)c(O)c1 308520351 HGXKMALUKPDPEB-SECBINFHSA-N 197.253 2.321 10 20 AECD CON(C)Cc1cc(C)cc(C)c1O 917064851 NJEVDOSDCQDMGJ-UHFFFAOYSA-N 195.262 2.002 10 20 AECD CCc1c(-c2ccoc2C)n[nH]c1N 37507700 VZAVCSAJTROBLU-UHFFFAOYSA-N 191.234 2.123 10 20 AECD CO[C@H](C)CSc1nccs1 307729277 ISBCAHSAJJXCOJ-ZCFIWIBFSA-N 189.305 2.270 10 20 AECD CC(C)N[C@@H](C)c1ccccc1O 19880533 IGBHXXQDYLTPIR-VIFPVBQESA-N 179.263 2.451 10 20 AECD CN(CC1CC1)c1ccc(N)cc1 57549708 LZLVZVWTEMGOLN-UHFFFAOYSA-N 176.263 2.115 10 20 AECD C[C@@H]1C[C@@H]1CNc1ccc(N)cc1 166732170 YIFOSMPPSHHBCI-RKDXNWHRSA-N 176.263 2.337 10 20 AECD CC(C)CCN1CC(N=[N+]=[N-])C1 409423929 RQWFBXUPUXJWDC-UHFFFAOYSA-N 168.244 2.027 10 20 AECD C[C@H]1CC[C@H]1NCc1ccccc1O 306313590 UUUJFXJMXMCZPX-GXSJLCMTSA-N 191.274 2.280 10 20 AECD CC(C)CNc1ccc(N)cc1 34939558 HVLSGFJMVKHOMZ-UHFFFAOYSA-N 164.252 2.337 10 20 AECD Nc1ccc(O[C@H]2CCSC2)cc1 107138894 WHAISEPPRUVCQD-JTQLQIEISA-N 195.287 2.153 10 20 AECD CCN[C@@H](C)c1ccccc1O 19442414 KHMJUWWHZBGBLB-QMMMGPOBSA-N 165.236 2.063 10 20 AECD CC(C)Cc1n[nH]cc1CN=[N+]=[N-] 409441378 RNOHVJSQNDIANM-UHFFFAOYSA-N 179.227 2.419 10 20 AECD CCCN[C@H](C)c1ccccc1O 19438323 DHBRGJOFHKULPD-SECBINFHSA-N 179.263 2.453 10 20 AECD CC1(C)CN(Cc2ccccc2O)C1 877717766 PXKCYESOQIGTBL-UHFFFAOYSA-N 191.274 2.234 10 20 AECD Cc1cc(C)c(O)c([C@@H](C)N)c1 71463556 WVTSODRKSFVSLT-MRVPVSSYSA-N 165.236 2.029 10 20 AECD CC[C@H](C)NCc1ccc(N)cc1 40407867 SZPMTBGZJKVYJB-VIFPVBQESA-N 178.279 2.157 10 20 AECD c1ccc2c(c1)NC[C@@H](C1CC1)N2 87262395 RCQKCEYEIPCPHC-NSHDSACASA-N 174.247 2.303 10 20 AECD CCCN(C)Cc1cc(F)ccc1O 226562157 FBWGOMSMTPUWJS-UHFFFAOYSA-N 197.253 2.373 10 20 AECD CC(C)[C@@H](N)c1cc(F)ccc1O 75854057 VKCKBGUGACJHAB-SNVBAGLBSA-N 183.226 2.187 10 20 AECD Oc1ccccc1CN[C@H]1C=CCC1 700543295 JEWLQNXQXPNUBZ-NSHDSACASA-N 189.258 2.200 10 20 AECD CC(C)(C)OC(=O)[C@H]1C[C@@H](N=[N+]=[N-])C1 716268916 SBPRPFYYGAIDRJ-KNVOCYPGSA-N 197.238 2.417 10 20 AECD COc1ccc(N(C)CCF)cc1 844353532 XPGAIJIWJBXHGS-UHFFFAOYSA-N 183.226 2.101 10 20 AECD CC(C)CNCc1ccc(N)cc1 40408544 UZDJQASJRDQTAZ-UHFFFAOYSA-N 178.279 2.014 10 20 AECD OCCCCSc1nccs1 40677101 VVHQFXMGAYLCPE-UHFFFAOYSA-N 189.305 2.008 10 20 AECD C[C@@H](O)[C@@H](C)Sc1nccs1 87139934 WIVNZLDODRMMAJ-PHDIDXHHSA-N 189.305 2.005 10 20 AECD Cc1cc(C)c(O)c(O)c1C 39245702 NZEZVJPYSAXNTR-UHFFFAOYSA-N 152.193 2.023 10 20 AECD CCc1ccc(O)c([C@@H](N)C2CC2)c1 95770273 MNTWOKSZTVUPLA-LBPRGKRZSA-N 191.274 2.364 10 20 AECD COc1ccc(N(C)C)c(Cl)c1 84918314 POQKWNQUGCNCKF-UHFFFAOYSA-N 185.654 2.415 10 20 AECD CCN[C@H](CC)c1ccccc1O 19519834 JKSUYLDHNVXPKP-SNVBAGLBSA-N 179.263 2.453 10 20 AECD Cc1cc(Cl)c(O)c([C@H](C)N)c1 95769780 KEDSKFICISBEGZ-LURJTMIESA-N 185.654 2.374 10 20 AECD C[C@H](O)[C@H](C)Sc1nccs1 87139937 WIVNZLDODRMMAJ-WDSKDSINSA-N 189.305 2.005 10 20 AECD Cc1ccc(O)c([C@@H](C)NCCF)c1 308563712 XJXLUJAIZBOEEV-SECBINFHSA-N 197.253 2.321 10 20 AECD C[C@@H](NC1CC1)c1c(O)cccc1F 886487647 MVLXECKAXWKFKS-SSDOTTSWSA-N 195.237 2.344 10 20 AECD Cc1cccc(O)c1CN(C)C1CC1 876580461 LWBHDMMHFVTMBT-UHFFFAOYSA-N 191.274 2.295 10 20 AECD CC(C)[C@H](N)c1ccc(N(C)C)cc1 75854066 RXPZUIOWUPHTSU-LBPRGKRZSA-N 192.306 2.408 10 20 AECD [N-]=[N+]=NCC(=O)c1ccsc1 196262436 QKWMDCJLCSAPIQ-UHFFFAOYSA-N 167.193 2.241 10 20 AECD CC(C)=CCNCc1ccccc1O 232617826 BMFOXPSEAOPVHZ-UHFFFAOYSA-N 191.274 2.448 10 20 AECD C[C@@H](NC1CC1)c1cc(F)ccc1O 87111292 HZKWREHYOGYQRQ-SSDOTTSWSA-N 195.237 2.344 10 20 AECD Cc1cccc(O)c1CNCC(C)C 876884813 KPPSOVOPOFTLMW-UHFFFAOYSA-N 193.290 2.446 10 20 AECD C/C=C(/C)C(=O)Nc1ccc(N)cc1 306669506 LEGNVGKRJYTJTF-BAQGIRSFSA-N 190.246 2.174 10 20 AECD CC[C@H](N)c1ccc(N(C)C)cc1 75416940 PGBYJELBVKNJGV-NSHDSACASA-N 178.279 2.162 10 20 AECD Cc1ccc(CNCCCF)c(O)c1 877092252 XYYGFWDHDVPJBB-UHFFFAOYSA-N 197.253 2.150 10 20 AECD CCCO[C@H]1C[C@H](N=[N+]=[N-])C1 1898196546 MOFBUWRUPDRTQJ-LJGSYFOKSA-N 155.201 2.254 10 20 AECD Cc1ccc(CNCC(C)C)c(O)c1 83342025 YVIVZLCKJZKFLB-UHFFFAOYSA-N 193.290 2.446 10 20 AECD CCCNCc1ccc2c(c1)CCO2 37362279 AOIXFXMIDCHLMR-UHFFFAOYSA-N 191.274 2.121 10 20 AECD CC(C)(C)c1cccc(CN)c1O 82634786 YHFXUNWGBZOJFP-UHFFFAOYSA-N 179.263 2.148 10 20 AECD Cc1cc(O)c(O)c(C)c1Cl 71455000 SSHGSTQNUASBDK-UHFFFAOYSA-N 172.611 2.368 10 20 AECD CCN[C@H](C)c1cc(F)ccc1O 34666362 VFWQMLRHHWKXCM-SSDOTTSWSA-N 183.226 2.202 10 20 AECD FCCSc1nccs1 306871022 WDXIWGATTFJDTM-UHFFFAOYSA-N 163.242 2.205 10 20 AECD Cc1cccc(CN=[N+]=[N-])n1 86136477 LLRMJHQGASVQCU-UHFFFAOYSA-N 148.169 2.200 10 20 AECD CC[C@H](C)NCCc1ccc(N)cc1 40408004 ZZGOHSGXPGIPCU-JTQLQIEISA-N 192.306 2.199 10 20 AECD CC(C)c1noc(CN=[N+]=[N-])n1 42390804 DZUPPFODYHJIOS-UHFFFAOYSA-N 167.172 2.003 10 20 AECD CCNCc1ccc(N(C)C)c(F)c1 34824258 ZSDLMWNSIDRBCS-UHFFFAOYSA-N 196.269 2.001 10 20 AECD Oc1ccc(Cl)cc1CNC1CC1 21955913 LTSRGVXGHFIHBZ-UHFFFAOYSA-N 197.665 2.298 10 20 AECD CC[C@H](C)NCc1cc(F)ccc1O 83342741 FZGDHKNMZXEWPV-QMMMGPOBSA-N 197.253 2.419 10 20 AECD CCN[C@H](C)c1cc(OC)ccc1O 19504939 NJZXZULVBYDYAB-MRVPVSSYSA-N 195.262 2.071 10 20 AECD CC[C@@H](C)Nc1ccccc1N 20381577 WYAPIOHQETXJHU-MRVPVSSYSA-N 164.252 2.479 10 20 AECD CCN[C@H](C)c1ccc(F)cc1O 62744671 ZBUVUHHKVWOZRA-SSDOTTSWSA-N 183.226 2.202 10 20 AECD CC(C)OC(=O)c1cc(O)cs1 307717973 KNHPHGPJHUNLGP-UHFFFAOYSA-N 186.232 2.019 10 20 AECD [N-]=[N+]=NCc1c[nH]nc1C(F)(F)F 409440288 MATQWYQPUQDSML-UHFFFAOYSA-N 191.116 2.239 10 20 AECD CC(C)N(C)Cc1ccccc1O 96477939 OFHGRTCWWJDLOB-UHFFFAOYSA-N 179.263 2.232 10 20 AECD CCCNCc1cccc(C)c1O 83340431 DOLPIXLKAGZJHY-UHFFFAOYSA-N 179.263 2.200 10 20 AECD COCCCSc1nccs1 388068039 BLHNWPVQDFLNEA-UHFFFAOYSA-N 189.305 2.272 10 20 AECD CCN[C@@H](C)c1ccc(F)cc1O 62744670 ZBUVUHHKVWOZRA-ZETCQYMHSA-N 183.226 2.202 10 20 AECD CCSc1nccs1 104147697 XLTNDCQBOHRNPR-UHFFFAOYSA-N 145.252 2.255 10 20 AECD C[C@H](NCC1CC1)c1ccccc1O 19884787 ILJLTFKEDGCTEZ-VIFPVBQESA-N 191.274 2.453 10 20 AECD Nc1ccc(N2CCC(F)(F)C2)cc1 218759979 VZORDAIBQARJHN-UHFFFAOYSA-N 198.216 2.114 10 20 AECD Cc1ccc(O)c([C@H](N)C(C)C)c1 75854050 ZVIBIMORUKDBGP-LLVKDONJSA-N 179.263 2.356 10 20 AECD Nc1ccc(CN[C@@H]2C=CCC2)cc1 1334775305 VMTMUUYPLQEYHJ-GFCCVEGCSA-N 188.274 2.077 10 20 AECD C[C@H](NC1CC1)c1ccc(F)cc1O 62744654 IOPONAXTODDCLP-ZETCQYMHSA-N 195.237 2.344 10 20 AECD C[C@H](NCCCF)c1ccccc1O 388752152 XPVASTOJDCXEQR-VIFPVBQESA-N 197.253 2.402 10 20 AECD [N-]=[N+]=NCc1cccc2c1OCCO2 200940044 OIPFEQXQXSGCMU-UHFFFAOYSA-N 191.190 2.268 10 20 AECD CCC(=O)CSc1nccs1 50182045 WHEBGZSHNMHZCI-UHFFFAOYSA-N 187.289 2.214 10 20 AECD CCCNCc1c(C)cccc1O 238226513 CVICJABZINITGU-UHFFFAOYSA-N 179.263 2.200 10 20 AECD CCOc1ccc(N(C)C)cc1 5327606 NOTZHLDTUSLGBM-UHFFFAOYSA-N 165.236 2.151 10 20 AECD c1cc(CSc2nccs2)on1 306187449 AXDCIORAUCUFGA-UHFFFAOYSA-N 198.272 2.423 10 20 AECD CCCN(C)Cc1ccc(N)cc1 32007235 LNNVDJYHQDDGSD-UHFFFAOYSA-N 178.279 2.111 10 20 AECD CCCNCc1cc(F)ccc1O 83340813 YVLUXHGJRXGMIU-UHFFFAOYSA-N 183.226 2.031 10 20 AECD CC(C)NCc1cc(F)ccc1O 83340817 WSNBAIVLVJKJSF-UHFFFAOYSA-N 183.226 2.029 10 20 AECD N[C@@H](CF)c1cc(Cl)ccc1O 238572850 YFCSVQOEPATSNK-ZETCQYMHSA-N 189.617 2.015 10 20 AECD CCN[C@H](C)c1ccccc1O 19442416 KHMJUWWHZBGBLB-MRVPVSSYSA-N 165.236 2.063 10 20 AECD Cc1ccc(O)c(CN2CCCC2)c1 96543749 RYMPAXGTOZAZAZ-UHFFFAOYSA-N 191.274 2.296 10 20 AECD CCCCNCc1cc(F)ccc1O 83342751 ONPMKUMPKBNFJM-UHFFFAOYSA-N 197.253 2.421 10 20 AECD CCNCc1ccc2c(c1)CCCO2 62351226 IMXXKEFBGCPZIH-UHFFFAOYSA-N 191.274 2.121 10 20 AECD Oc1ccccc1CN1CC=CCC1 59406303 UPTPHIPGAXUNGQ-UHFFFAOYSA-N 189.258 2.154 10 20 AECD Nc1ccc(CNCCC2CC2)cc1 83895418 GQTBMKXQDBAQPR-UHFFFAOYSA-N 190.290 2.159 10 20 AECD