Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C ZINC000000000456 04/25/73/179042573 INWLQCZOYSRPNW-CYBMUJFWSA-N 1 246.354 BF 2.726 1 Anodyne mid BFAAMO Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1C fda Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C ZINC000000000456 04/25/72/179042572 INWLQCZOYSRPNW-CYBMUJFWSA-N 1 246.354 BF 2.726 1 Anodyne mid BFAAMO Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1C fda Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C ZINC000000000456 04/25/69/179042569 INWLQCZOYSRPNW-CYBMUJFWSA-N 0 246.354 BF 2.726 0 Anodyne ref BFAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C fda COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1 ZINC000000000500 06/60/77/175066077 MJVGBKJNTFCUJM-UHFFFAOYSA-N 0 242.274 BF 2.94 1 Anodyne mid BFAAMN COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1 world COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1 ZINC000000000500 06/60/76/175066076 MJVGBKJNTFCUJM-UHFFFAOYSA-N -1 242.274 BF 2.94 0 Anodyne ref BFAARM COc1ccc(C(=O)c2ccc(C)cc2)c([O-])c1 world Oc1ccc(OCc2ccccc2)cc1 ZINC000000001748 27/74/92/183277492 VYQNWZOUAUKGHI-UHFFFAOYSA-N 0 200.237 BF 2.971 0 Anodyne ref BFAARN Oc1ccc(OCc2ccccc2)cc1 world O=C(Nc1ccccc1)c1ccccc1O ZINC000000002057 37/81/92/182378192 WKEDVNSFRWHDNR-UHFFFAOYSA-N -1 213.236 BF 2.645 1 Anodyne mid BFAAMM O=C(Nc1ccccc1)c1ccccc1[O-] in-man O=C(Nc1ccccc1)c1ccccc1O ZINC000000002057 37/81/89/182378189 WKEDVNSFRWHDNR-UHFFFAOYSA-N 0 213.236 BF 2.645 0 Anodyne ref BFAARN O=C(Nc1ccccc1)c1ccccc1O in-man O=C(O)Cc1ccc(-c2ccccc2)cc1 ZINC000000002318 81/80/22/383818022 QRZAKQDHEVVFRX-UHFFFAOYSA-N -1 212.248 BF 2.981 0 Anodyne ref BFAARM O=C([O-])Cc1ccc(-c2ccccc2)cc1 world Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 ZINC000000006787 26/54/60/183265460 LUKBXSAWLPMMSZ-OWOJBTEDSA-N 0 228.247 BF 2.974 0 Anodyne ref BFAARN Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 world endogenous CCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000000020237 08/37/31/491083731 NNJVILVZKWQKPM-UHFFFAOYSA-N 0 234.343 BF 2.584 1 Anodyne mid BFAAMN CCN(CC)CC(=O)Nc1c(C)cccc1C fda CCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000000020237 08/37/29/491083729 NNJVILVZKWQKPM-UHFFFAOYSA-N 1 234.343 BF 2.584 0 Anodyne ref BFAARO CC[NH+](CC)CC(=O)Nc1c(C)cccc1C fda CC(C)(C)c1cc(C(=O)O)nn1-c1ccccc1 ZINC000000032855 67/02/99/342670299 CBLDQVQVGAYZED-UHFFFAOYSA-N -1 244.294 BF 2.868 0 Anodyne ref BFAARM CC(C)(C)c1cc(C(=O)[O-])nn1-c1ccccc1 O=C(O)C(c1ccccc1)c1ccccc1 ZINC000000034687 42/06/29/387420629 PYHXGXCGESYPCW-UHFFFAOYSA-N -1 212.248 BF 2.903 0 Anodyne ref BFAARM O=C([O-])C(c1ccccc1)c1ccccc1 in-vivo CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O ZINC000000035735 67/06/59/342670659 LLMLSUSAKZVFOA-NJGYIYPDSA-N -1 209.072 BF 2.662 0 Anodyne ref BFAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)[O-] in-vitro Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000000035798 67/07/56/342670756 RAKGZQHZUMWEFW-UHFFFAOYSA-N 0 214.224 BF 2.844 0 Bother ref BFBARN Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 COc1cc(C=O)ccc1OCC(C)C ZINC000000035840 97/70/74/174977074 AIAGRBSXKXJZFB-UHFFFAOYSA-N 0 208.257 BF 2.543 0 Anodyne ref BFAARN COc1cc(C=O)ccc1OCC(C)C Oc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000038453 26/63/68/183266368 REOGMBVECOGANJ-UHFFFAOYSA-N 0 210.236 BF 2.936 0 Anodyne ref BFAARN Oc1ccc(-c2nc3ccccc3[nH]2)cc1 O=C(Oc1ccccc1)c1ccccc1O ZINC000000038545 67/06/22/342670622 ZQBAKBUEJOMQEX-UHFFFAOYSA-N 0 214.22 BF 2.611 0 Anodyne ref BFAARN O=C(Oc1ccccc1)c1ccccc1O world endogenous CC1=C(C(=O)Nc2ccccc2)SCCO1 ZINC000000043478 67/12/29/342671229 GYSSRZJIHXQEHQ-UHFFFAOYSA-N 0 235.308 BF 2.62 0 Anodyne ref BFAARN CC1=C(C(=O)Nc2ccccc2)SCCO1 investigational metabolite Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000049151 67/12/97/342671297 PXWLVJLKJGVOKE-UHFFFAOYSA-N 0 230.311 BF 2.608 0 Anodyne ref BFAARN Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C world N#CCC(=O)Nc1cccc2ccccc12 ZINC000000050330 03/44/29/181034429 UWQDBRNNYSFJFC-UHFFFAOYSA-N 0 210.236 BF 2.692 0 Mild ref BFEARN N#CCC(=O)Nc1cccc2ccccc12 CC1(C)C[C@@H](NCc2ccccc2)CCO1 ZINC000000051287 67/11/88/342671188 MSWLMOCCTHCSBL-ZDUSSCGKSA-N 1 219.328 BF 2.734 0 Anodyne ref BFAARO CC1(C)C[C@@H]([NH2+]Cc2ccccc2)CCO1 CC1(C)C[C@H](NCc2ccccc2)CCO1 ZINC000000051288 99/19/44/167991944 MSWLMOCCTHCSBL-CYBMUJFWSA-N 1 219.328 BF 2.734 0 Anodyne ref BFAARO CC1(C)C[C@H]([NH2+]Cc2ccccc2)CCO1 CC(=O)Nc1c(C(C)=O)oc2ccccc12 ZINC000000054786 67/15/43/342671543 KNEXUVWFSJOVDU-UHFFFAOYSA-N 0 217.224 BF 2.594 0 Anodyne ref BFAARN CC(=O)Nc1c(C(C)=O)oc2ccccc12 COc1cc(-c2ccc(N)c(OC)c2)ccc1N ZINC000000056395 67/19/73/342671973 JRBJSXQPQWSCCF-UHFFFAOYSA-N 0 244.294 BF 2.535 0 Anodyne ref BFAARN COc1cc(-c2ccc(N)c(OC)c2)ccc1N in-vitro C/C=C/C(=O)N(CC)c1ccccc1C ZINC000000056427 09/91/55/188099155 DNTGGZPQPQTDQF-XBXARRHUSA-N 0 203.285 BF 2.924 0 Anodyne ref BFAARN C/C=C/C(=O)N(CC)c1ccccc1C fda O=C(O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000000056439 89/15/25/355891525 FJAZVXUPZQSZKI-UHFFFAOYSA-N -1 244.221 BF 2.755 0 Anodyne ref BFAARM O=C([O-])c1ccccc1C(=O)c1ccc(F)cc1 in-vitro COc1ccc(C(=O)c2ccc(OC)cc2)cc1 ZINC000000056447 58/30/76/187583076 RFVHVYKVRGKLNK-UHFFFAOYSA-N 0 242.274 BF 2.935 0 Anodyne ref BFAARN COc1ccc(C(=O)c2ccc(OC)cc2)cc1 CCOC(=O)N(Cc1ccccc1)C1CC1 ZINC000000056466 23/87/51/170238751 OGXBVBBMMWSZJO-UHFFFAOYSA-N 0 219.284 BF 2.808 0 Anodyne ref BFABRN CCOC(=O)N(Cc1ccccc1)C1CC1 in-man CN(C)c1cccc2cccc(N(C)C)c12 ZINC000000056476 67/18/39/342671839 GJFNRSDCSTVPCJ-UHFFFAOYSA-N 0 214.312 BF 2.972 0 Anodyne ref BFAARN CN(C)c1cccc2cccc(N(C)C)c12 in-vitro COc1ccc(C(O)c2ccc(OC)cc2)cc1 ZINC000000056478 06/96/72/175069672 ZODAOVNETBTTJX-UHFFFAOYSA-N 0 244.29 BF 2.786 0 Anodyne ref BFAARN COc1ccc(C(O)c2ccc(OC)cc2)cc1 CO[C@@](C#N)(c1ccccc1)C(F)(F)F ZINC000000056502 78/71/10/174787110 UBOJBAYKXZRZHI-VIFPVBQESA-N 0 215.174 BF 2.614 0 Mild ref BFEARN CO[C@@](C#N)(c1ccccc1)C(F)(F)F CO[C@](C#N)(c1ccccc1)C(F)(F)F ZINC000000056503 90/74/69/174907469 UBOJBAYKXZRZHI-SECBINFHSA-N 0 215.174 BF 2.614 0 Mild ref BFEARN CO[C@](C#N)(c1ccccc1)C(F)(F)F CC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000000056508 27/24/53/188272453 JPHQCDCEBDRIOL-UHFFFAOYSA-N 0 202.175 BF 2.837 0 Anodyne ref BFAARN CC(=O)Cc1cccc(C(F)(F)F)c1 in-vitro COc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000000056590 20/08/75/175200875 KGFADEJSZXEVMC-UHFFFAOYSA-N 0 221.134 BF 2.622 0 Bother ref BFBARN COc1ccc([N+](=O)[O-])cc1C(F)(F)F N#CN=C(Oc1ccccc1)Oc1ccccc1 ZINC000000056637 05/36/67/181053667 SLIKWVTWIGHFJE-UHFFFAOYSA-N 0 238.246 BF 2.981 0 Mild ref BFEARN N#CN=C(Oc1ccccc1)Oc1ccccc1 O=C(O)c1ccc(C(F)(F)F)cc1F ZINC000000056690 56/45/77/182564577 OCIYTBZXTFPSPI-UHFFFAOYSA-N -1 208.11 BF 2.543 0 Anodyne ref BFAARM O=C([O-])c1ccc(C(F)(F)F)cc1F O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000056965 56/07/76/182560776 FXZTYDPWMQBTDH-UHFFFAOYSA-N -1 233.179 BF 2.553 0 Bother ref BFBARM O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 O=C(O)CCCc1c[nH]c2ccccc12 ZINC000000057378 44/14/78/182441478 JTEDVYBZBROSJT-UHFFFAOYSA-N -1 203.241 BF 2.575 0 Anodyne ref BFAARM O=C([O-])CCCc1c[nH]c2ccccc12 in-man endogenous CCOC(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000000058255 29/21/67/170292167 WMKNGSJJEMFQOT-UHFFFAOYSA-N -1 235.066 BF 2.876 0 Anodyne ref BFAARM CCOC(=O)c1cc(Cl)c([O-])c(Cl)c1 N#CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000000064955 03/39/07/181033907 XSNWFABKENMBQB-UHFFFAOYSA-N 0 229.066 BF 2.846 0 Mild ref BFEARN N#CCC(=O)Nc1ccc(Cl)cc1Cl OC(COc1ccccc1)COc1ccccc1 ZINC000000066296 82/22/20/383822220 NKCVHIPHZCIEFC-UHFFFAOYSA-N 0 244.29 BF 2.505 0 Anodyne ref BFAARN OC(COc1ccccc1)COc1ccccc1 O=[N+]([O-])c1ccc(-c2cn3ccccc3n2)cc1 ZINC000000072635 92/64/49/182926449 SNBCSKCONKUZBA-UHFFFAOYSA-N 0 239.234 BF 2.91 0 Bother ref BFBARN O=[N+]([O-])c1ccc(-c2cn3ccccc3n2)cc1 Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000000072649 67/27/15/342672715 FPCHINCJTRAFAK-UHFFFAOYSA-N 0 209.252 BF 2.584 0 Anodyne ref BFAARN Nc1ccc(-c2cn3ccccc3n2)cc1 CC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000000075107 82/48/60/383824860 ZDAPLZCKWHZNPX-UHFFFAOYSA-N 0 220.297 BF 2.698 0 Anodyne ref BFAARN CC(=O)c1sc2nc(C)cc(C)c2c1N CCOC(=O)c1c(N)sc2ccccc12 ZINC000000078114 28/92/78/170289278 XNASJEQIJMDBQN-UHFFFAOYSA-N 0 221.281 BF 2.66 0 Anodyne ref BFAARN CCOC(=O)c1c(N)sc2ccccc12 O=C(O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000078349 07/66/39/358076639 UZKKMWJMAJGMPF-UHFFFAOYSA-N -1 241.246 BF 2.637 0 Anodyne ref BFAARM O=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 Ic1ccc2[nH]ccc2c1 ZINC000000081090 67/33/15/342673315 TVQLYTUWUQMGMP-UHFFFAOYSA-N 0 243.047 BF 2.772 0 Anodyne ref BFAARN Ic1ccc2[nH]ccc2c1 O=C(O)Cc1ccc(OCc2ccccc2)cc1 ZINC000000081145 82/40/31/383824031 XJHGAJLIKDAOPE-UHFFFAOYSA-N -1 242.274 BF 2.893 0 Anodyne ref BFAARM O=C([O-])Cc1ccc(OCc2ccccc2)cc1 in-vitro O=C(NCc1ccccc1)NCc1ccccc1 ZINC000000084096 25/58/72/182255872 KATOLVAXCGIBLO-UHFFFAOYSA-N 0 240.306 BF 2.686 0 Anodyne ref BFAARN O=C(NCc1ccccc1)NCc1ccccc1 in-vivo Cc1cc(C(=O)c2ccccc2)ccc1O ZINC000000084150 82/73/37/177827337 UDGHTNPEJPFNIP-UHFFFAOYSA-N -1 212.248 BF 2.932 3 Anodyne high BFAAHM Cc1cc(C(=O)c2ccccc2)ccc1[O-] Cc1cc(C(=O)c2ccccc2)ccc1O ZINC000000084150 82/73/34/177827334 UDGHTNPEJPFNIP-UHFFFAOYSA-N 0 212.248 BF 2.932 0 Anodyne ref BFAARN Cc1cc(C(=O)c2ccccc2)ccc1O Cc1noc(C)c1COc1cccc(C(=O)O)c1 ZINC000000087844 47/47/93/180474793 NSODFQJPVJFTLK-UHFFFAOYSA-N -1 247.25 BF 2.569 0 Anodyne ref BFAARM Cc1noc(C)c1COc1cccc(C(=O)[O-])c1 N#CCc1nc(-c2ccccc2)cs1 ZINC000000088487 04/96/06/181049606 SOFCSIBVJROWGI-UHFFFAOYSA-N 0 200.266 BF 2.876 0 Mild ref BFEARN N#CCc1nc(-c2ccccc2)cs1 CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000092917 09/88/05/188098805 DFDHFECLWHHELH-UHFFFAOYSA-N 0 203.163 BF 2.664 0 Anodyne ref BFAARN CC(=O)Nc1ccc(C(F)(F)F)cc1 Nc1cccnc1Oc1ccc(F)cc1F ZINC000000093337 67/39/77/342673977 LCPVQAHEFVXVKT-UHFFFAOYSA-N 0 222.194 BF 2.734 0 Anodyne ref BFAARN Nc1cccnc1Oc1ccc(F)cc1F CC(=O)c1ccc(Br)s1 ZINC000000096540 24/45/71/187244571 IGBZCOWXSCWSHO-UHFFFAOYSA-N 0 205.076 BF 2.713 0 Anodyne ref BFAARN CC(=O)c1ccc(Br)s1 COc1ccccc1Nc1nnc(S)s1 ZINC000000097343 33/96/71/175339671 YSTOHGZAZWZINJ-UHFFFAOYSA-N 0 239.325 BF 2.579 0 Anodyne ref BFAARN COc1ccccc1NC1N=NC(=S)S1 O=C(Nc1ccccc1C(=O)O)c1ccccc1 ZINC000000097718 37/77/91/182377791 WXVLIIDDWFGYCV-UHFFFAOYSA-N -1 241.246 BF 2.637 0 Anodyne ref BFAARM O=C(Nc1ccccc1C(=O)[O-])c1ccccc1 in-man endogenous NCC[C@H](Cc1ccccc1)c1ccco1 ZINC000000105975 40/70/32/181407032 VXTXUDSXGALJHG-CYBMUJFWSA-N 1 215.296 BF 2.955 0 Anodyne ref BFAARO [NH3+]CC[C@H](Cc1ccccc1)c1ccco1 NCC[C@@H](Cc1ccccc1)c1ccco1 ZINC000000105977 82/76/12/383827612 VXTXUDSXGALJHG-ZDUSSCGKSA-N 1 215.296 BF 2.955 0 Anodyne ref BFAARO [NH3+]CC[C@@H](Cc1ccccc1)c1ccco1 O[C@H](c1ccccn1)c1c[nH]c2ccccc12 ZINC000000119562 23/06/44/183230644 XTNHYMXOUCGEHA-AWEZNQCLSA-N 0 224.263 BF 2.645 0 Anodyne ref BFAARN O[C@H](c1ccccn1)c1c[nH]c2ccccc12 O[C@@H](c1ccccn1)c1c[nH]c2ccccc12 ZINC000000119569 18/54/06/183185406 XTNHYMXOUCGEHA-CQSZACIVSA-N 0 224.263 BF 2.645 0 Anodyne ref BFAARN O[C@@H](c1ccccn1)c1c[nH]c2ccccc12 COC(=O)c1cc(Cl)ccc1Cl ZINC000000119681 83/13/14/383831314 SPJQBGGHUDNAIC-UHFFFAOYSA-N 0 205.04 BF 2.78 0 Anodyne ref BFAARN COC(=O)c1cc(Cl)ccc1Cl in-vitro O=c1c(Cl)c(Cl)cnn1-c1ccccc1 ZINC000000119689 67/53/32/342675332 VKWCOHVAHQOJGU-UHFFFAOYSA-N 0 241.077 BF 2.539 0 Anodyne ref BFAARN O=c1c(Cl)c(Cl)cnn1-c1ccccc1 COc1ccc(C(=O)c2cccs2)cc1 ZINC000000119788 09/90/95/188099095 KYVBFEMQEUXVQB-UHFFFAOYSA-N 0 218.277 BF 2.988 0 Anodyne ref BFAARN COc1ccc(C(=O)c2cccs2)cc1 COc1c2ccoc2cc2oc(C)cc(=O)c12 ZINC000000120179 93/66/82/174936682 NZVQLVGOZRELTG-UHFFFAOYSA-N 0 230.219 BF 2.856 0 Anodyne ref BFAARN COc1c2ccoc2cc2oc(C)cc(=O)c12 in-vitro biogenic Cc1nc(-c2ccccc2)sc1C(=O)O ZINC000000122847 83/08/82/383830882 CRSMRBYEBHOYRM-UHFFFAOYSA-N -1 219.265 BF 2.817 0 Anodyne ref BFAARM Cc1nc(-c2ccccc2)sc1C(=O)[O-] COc1c(Cl)cc(C(=O)O)cc1Cl ZINC000000123150 92/90/63/174929063 XSYZTYQXKIXPRC-UHFFFAOYSA-N -1 221.039 BF 2.7 0 Anodyne ref BFAARM COc1c(Cl)cc(C(=O)[O-])cc1Cl CSc1nccc(-c2cccs2)n1 ZINC000000126198 67/60/69/342676069 UAYLFPXPMKOTKN-UHFFFAOYSA-N 0 208.311 BF 2.927 0 Anodyne ref BFAARN CSc1nccc(-c2cccs2)n1 FC(F)(F)c1ccccc1-n1cnnc1S ZINC000000127821 82/97/10/383829710 WIDPGOMVFKGRCT-UHFFFAOYSA-N 0 245.229 BF 2.575 0 Anodyne ref BFAARN FC(F)(F)c1ccccc1N1CN=NC1=S Cc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000000127846 83/11/90/383831190 MIDBXGKRBJJUCE-UHFFFAOYSA-N -1 227.263 BF 2.953 3 Anodyne high BFAAHM Cc1ccc(C(=O)Nc2ccccc2[O-])cc1 Cc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC000000127846 83/11/86/383831186 MIDBXGKRBJJUCE-UHFFFAOYSA-N 0 227.263 BF 2.953 0 Anodyne ref BFAARN Cc1ccc(C(=O)Nc2ccccc2O)cc1 CC(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000000128849 60/62/01/388606201 OBFBGHKUUCGSPC-UHFFFAOYSA-N 0 228.173 BF 2.535 0 Mild ref BFEARN CC(=O)Nc1ccc(C#N)cc1C(F)(F)F O=C(O)c1cccnc1Oc1ccc(F)cc1 ZINC000000128980 58/43/94/182584394 SDZUYDOXBXHDCE-UHFFFAOYSA-N -1 233.198 BF 2.711 0 Anodyne ref BFAARM O=C([O-])c1cccnc1Oc1ccc(F)cc1 Nc1sc(-c2ccccc2)cc1C(=O)O ZINC000000131689 82/97/91/383829791 QSMQLBVCCAMZHD-UHFFFAOYSA-N -1 219.265 BF 2.696 0 Anodyne ref BFAARM Nc1sc(-c2ccccc2)cc1C(=O)[O-] Cc1ccc(Oc2ncccc2C(=O)O)cc1 ZINC000000131950 82/22/33/178822233 KSZLPVGPJCYPCJ-UHFFFAOYSA-N -1 229.235 BF 2.881 0 Anodyne ref BFAARM Cc1ccc(Oc2ncccc2C(=O)[O-])cc1 O=C(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000132767 55/88/74/344558874 ICDAYOOBGHYICW-UHFFFAOYSA-N 0 245.209 BF 2.965 0 Bother ref BFBARN O=C(c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1 ZINC000000134079 56/14/83/182561483 NEQFBGHQPUXOFH-UHFFFAOYSA-N -2 242.23 BF 2.75 0 Anodyne ref BFAARL O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 COc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000000136138 89/28/71/355892871 DXGLGDHPHMLXJC-UHFFFAOYSA-N 0 228.247 BF 2.632 1 Anodyne mid BFAAMN COc1ccc(C(=O)c2ccccc2)c(O)c1 fda COc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000000136138 89/28/67/355892867 DXGLGDHPHMLXJC-UHFFFAOYSA-N -1 228.247 BF 2.632 0 Anodyne ref BFAARM COc1ccc(C(=O)c2ccccc2)c([O-])c1 fda Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000136158 67/65/77/342676577 ZHXBPRJAAQLLMC-UHFFFAOYSA-N 0 239.2 BF 2.745 0 Anodyne ref BFAARN Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 N#CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000136796 03/45/40/181034540 HYPXSLNQQNLJDY-UHFFFAOYSA-N 0 228.173 BF 2.558 0 Mild ref BFEARN N#CCC(=O)Nc1cccc(C(F)(F)F)c1 CC(C)(C)c1nc(N)sc1Br ZINC000000140504 92/51/71/187925171 ACKLPWWFGUPXSM-UHFFFAOYSA-N 0 235.15 BF 2.785 0 Anodyne ref BFAARN CC(C)(C)c1nc(N)sc1Br CCOC(=O)c1sc2ccccc2c1N ZINC000000145157 31/06/87/170310687 XZSFZYVMRZLUOJ-UHFFFAOYSA-N 0 221.281 BF 2.66 0 Anodyne ref BFAARN CCOC(=O)c1sc2ccccc2c1N COc1cc(/C=C/C(=O)O)ccc1OC(C)C ZINC000000147909 67/70/33/342677033 HCIFIHNJOLFAAX-FNORWQNLSA-N -1 236.267 BF 2.58 0 Anodyne ref BFAARM COc1cc(/C=C/C(=O)[O-])ccc1OC(C)C CCOc1ccc(Br)cc1C=O ZINC000000148568 53/64/70/170536470 NFCBVQSSJAXEJD-UHFFFAOYSA-N 0 229.073 BF 2.66 0 Anodyne ref BFAARN CCOc1ccc(Br)cc1C=O CCc1ccc(-c2csc(N)n2)cc1 ZINC000000149190 67/71/02/342677102 YDFOGNLELPWXHU-UHFFFAOYSA-N 0 204.298 BF 2.955 0 Anodyne ref BFAARN CCc1ccc(-c2csc(N)n2)cc1 O=C(O)c1ccc(OC2CCCC2)cc1 ZINC000000151503 67/74/23/342677423 NSTJDFGPPOXIAT-UHFFFAOYSA-N -1 206.241 BF 2.706 0 Anodyne ref BFAARM O=C([O-])c1ccc(OC2CCCC2)cc1 NNc1ncnc2scc(-c3ccccc3)c12 ZINC000000152446 67/73/70/342677370 HKYLLTSMUHTLBT-UHFFFAOYSA-N 0 242.307 BF 2.644 0 Anodyne ref BFAARN NN=c1nc[nH]c2scc(-c3ccccc3)c12 O=C(O)/C=C/c1c(F)cccc1Cl ZINC000000152630 41/22/64/182412264 NDWALECYVLNBQG-SNAWJCMRSA-N -1 200.596 BF 2.577 0 Anodyne ref BFAARM O=C([O-])/C=C/c1c(F)cccc1Cl O=c1cc(-c2ccncc2)c2ccc(O)cc2o1 ZINC000000153915 67/73/37/342677337 PTBKPYBPJZBSMP-UHFFFAOYSA-N -1 239.23 BF 2.561 1 Anodyne mid BFAAMM O=c1cc(-c2ccncc2)c2ccc([O-])cc2o1 O=c1cc(-c2ccncc2)c2ccc(O)cc2o1 ZINC000000153915 67/73/36/342677336 PTBKPYBPJZBSMP-UHFFFAOYSA-N 0 239.23 BF 2.561 0 Anodyne ref BFAARN O=c1cc(-c2ccncc2)c2ccc(O)cc2o1 O=c1cc(-c2cccnc2)c2ccc(O)cc2o1 ZINC000000153917 67/74/33/342677433 NXHVMYDCZZUVML-UHFFFAOYSA-N -1 239.23 BF 2.561 1 Anodyne mid BFAAMM O=c1cc(-c2cccnc2)c2ccc([O-])cc2o1 O=c1cc(-c2cccnc2)c2ccc(O)cc2o1 ZINC000000153917 67/74/32/342677432 NXHVMYDCZZUVML-UHFFFAOYSA-N 0 239.23 BF 2.561 0 Anodyne ref BFAARN O=c1cc(-c2cccnc2)c2ccc(O)cc2o1 O=c1cc(-c2ccccn2)c2ccc(O)cc2o1 ZINC000000153922 67/73/21/342677321 WJXWVAVFUWNSBN-UHFFFAOYSA-N -1 239.23 BF 2.561 1 Anodyne mid BFAAMM O=c1cc(-c2ccccn2)c2ccc([O-])cc2o1 O=c1cc(-c2ccccn2)c2ccc(O)cc2o1 ZINC000000153922 67/73/18/342677318 WJXWVAVFUWNSBN-UHFFFAOYSA-N 0 239.23 BF 2.561 0 Anodyne ref BFAARN O=c1cc(-c2ccccn2)c2ccc(O)cc2o1 O=Cc1c[nH]c2c(F)c(F)c(F)c(F)c12 ZINC000000154005 83/51/98/383835198 BHGCCJJOMNIVOA-UHFFFAOYSA-N 0 217.121 BF 2.537 0 Anodyne ref BFAARN O=Cc1c[nH]c2c(F)c(F)c(F)c(F)c12 O=S(=O)(c1ccccc1)c1ccccc1 ZINC000000154638 08/13/30/358081330 KZTYYGOKRVBIMI-UHFFFAOYSA-N 0 218.277 BF 2.519 0 Anodyne ref BFAARN O=S(=O)(c1ccccc1)c1ccccc1 in-vitro