C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000000000435 58/60/43/176586043 YMBXTVYHTMGZDW-GXFFZTMASA-N -1 246.306 BF 2.786 0 Anodyne ref BFAARM C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1 world 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 C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O ZINC000000000850 01/28/99/176012899 MWLSOWXNZPKENC-ZETCQYMHSA-N -1 236.296 BF 2.732 3 Anodyne high BFAAHM C[C@@H](c1cc2ccccc2s1)N([O-])C(N)=O fda C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O ZINC000000000850 01/28/96/176012896 MWLSOWXNZPKENC-ZETCQYMHSA-N 0 236.296 BF 2.732 0 Anodyne ref BFAARN C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O fda O=C(OOC(=O)c1ccccc1)c1ccccc1 ZINC000000001016 35/86/21/530358621 OMPJBNCRMGITSC-UHFFFAOYSA-N 0 242.23 BF 2.615 0 Reactive ref BFGARN O=C(OOC(=O)c1ccccc1)c1ccccc1 fda endogenous CCOC(=O)c1cncn1[C@H](C)c1ccccc1 ZINC000000001408 30/31/92/170303192 NPUKDXXFDDZOKR-LLVKDONJSA-N 0 244.294 BF 2.669 0 Anodyne ref BFAARN CCOC(=O)c1cncn1[C@H](C)c1ccccc1 fda 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 COc1ccc2cccc(CCNC(C)=O)c2c1 ZINC000000005608 22/60/30/175226030 YJYPHIXNFHFHND-UHFFFAOYSA-N 0 243.306 BF 2.527 0 Anodyne ref BFAARN COc1ccc2cccc(CCNC(C)=O)c2c1 world Nc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000000006481 66/97/70/342669770 FTALBRSUTCGOEG-UHFFFAOYSA-N 0 234.202 BF 2.777 0 Anodyne ref BFAARN Nc1nc2ccc(OC(F)(F)F)cc2s1 fda 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 Brc1cncc(Br)c1 ZINC000000032311 10/50/23/166105023 SOSPMXMEOFGPIM-UHFFFAOYSA-N 0 236.894 BF 2.607 0 Anodyne ref BFAARN Brc1cncc(Br)c1 in-vitro O=C1Cc2ccccc2N1c1ccccc1 ZINC000000041212 67/09/24/342670924 OWPNVXATCSXTBK-UHFFFAOYSA-N 0 209.248 BF 2.907 0 Anodyne ref BFAARN O=C1Cc2ccccc2N1c1ccccc1 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 ZINC000000057464 67/21/46/342672146 WKSAUQYGYAYLPV-UHFFFAOYSA-N 0 248.717 BF 2.524 1 Anodyne mid BFAAMN CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 fda CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 ZINC000000057464 67/21/45/342672145 WKSAUQYGYAYLPV-UHFFFAOYSA-N 1 248.717 BF 2.524 0 Anodyne ref BFAARO CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1 fda CC(C)(C)NC[C@H](O)c1ccccc1Cl ZINC000000057521 63/41/97/166634197 YREYLAVBNPACJM-NSHDSACASA-N 1 227.735 BF 2.762 0 Anodyne ref BFAARO CC(C)(C)[NH2+]C[C@H](O)c1ccccc1Cl world Brc1ccc2ncccc2c1 ZINC000000078186 09/90/50/166099050 IFIHYLCUKYCKRH-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1ccc2ncccc2c1 in-vitro COc1ccc([C@H](C#N)C(C)C)cc1OC ZINC000000082538 24/46/55/187244655 NFXAXMOAVPLEBH-LLVKDONJSA-N 0 219.284 BF 2.967 0 Mild ref BFEARN COc1ccc([C@H](C#N)C(C)C)cc1OC COc1ccc([C@@H](C#N)C(C)C)cc1OC ZINC000000082541 27/24/91/188272491 NFXAXMOAVPLEBH-NSHDSACASA-N 0 219.284 BF 2.967 0 Mild ref BFEARN COc1ccc([C@@H](C#N)C(C)C)cc1OC CC[C@@H]1NCCc2c1[nH]c1ccccc21 ZINC000000083156 15/03/47/171150347 FJPPZKPWCBEAMQ-NSHDSACASA-N 1 200.285 BF 2.765 0 Anodyne ref BFAARO CC[C@@H]1[NH2+]CCc2c1[nH]c1ccccc21 CC[C@H]1NCCc2c1[nH]c1ccccc21 ZINC000000083161 67/35/74/342673574 FJPPZKPWCBEAMQ-LLVKDONJSA-N 1 200.285 BF 2.765 0 Anodyne ref BFAARO CC[C@H]1[NH2+]CCc2c1[nH]c1ccccc21 COc1c(Cl)ccc(Cl)c1C(=O)O ZINC000000126322 67/60/53/342676053 IWEDIXLBFLAXBO-UHFFFAOYSA-N -1 221.039 BF 2.7 0 Anodyne ref BFAARM COc1c(Cl)ccc(Cl)c1C(=O)[O-] in-vitro Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000000132910 36/22/39/178362239 KZNXALJXBRSMFL-UHFFFAOYSA-N 0 216.034 BF 2.666 0 Bother ref BFBARN Cc1ccc(Br)cc1[N+](=O)[O-] O=C(O)CCc1cccc(C(F)(F)F)c1 ZINC000000154055 83/60/72/383836072 YLTJJMIWCCJIHI-UHFFFAOYSA-N -1 218.174 BF 2.723 0 Anodyne ref BFAARM O=C([O-])CCc1cccc(C(F)(F)F)c1 O=C(O)C1c2ccccc2-c2ccccc21 ZINC000000154881 83/52/53/383835253 DNVJGJUGFFYUPT-UHFFFAOYSA-N -1 210.232 BF 2.884 0 Anodyne ref BFAARM O=C([O-])C1c2ccccc2-c2ccccc21 Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C ZINC000000154964 04/22/92/179042292 INWLQCZOYSRPNW-ZDUSSCGKSA-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 ZINC000000154964 04/22/89/179042289 INWLQCZOYSRPNW-ZDUSSCGKSA-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 ZINC000000154964 04/22/86/179042286 INWLQCZOYSRPNW-ZDUSSCGKSA-N 0 246.354 BF 2.726 0 Anodyne ref BFAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C fda O=C1CCc2cc(Br)ccc21 ZINC000000156323 75/64/57/182756457 KSONICAHAPRCMV-UHFFFAOYSA-N 0 211.058 BF 2.578 0 Anodyne ref BFAARN O=C1CCc2cc(Br)ccc21 O=C(c1ccc(O)cc1)c1ccccc1F ZINC000000156427 67/80/86/342678086 FHFDJJWFCDGBEM-UHFFFAOYSA-N -1 216.211 BF 2.762 1 Anodyne mid BFAAMM O=C(c1ccc([O-])cc1)c1ccccc1F O=C(c1ccc(O)cc1)c1ccccc1F ZINC000000156427 67/80/83/342678083 FHFDJJWFCDGBEM-UHFFFAOYSA-N 0 216.211 BF 2.762 0 Anodyne ref BFAARN O=C(c1ccc(O)cc1)c1ccccc1F Brc1cccc2cccnc12 ZINC000000158601 10/20/86/166102086 PIWNKSHCLTZKSZ-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cccc2cccnc12 Brc1cccc2cnccc12 ZINC000000158610 10/10/20/166101020 CYJZJGYYTFQQBY-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cccc2cnccc12 in-vitro Fc1ccc(I)cc1F ZINC000000164594 67/87/67/342678767 KSASJELKLBIMSG-UHFFFAOYSA-N 0 239.99 BF 2.569 0 Anodyne ref BFAARN Fc1ccc(I)cc1F NNc1ccc(C(F)(F)F)cc1Cl ZINC000000165082 67/86/27/342678627 KSESZRGARIEOFC-UHFFFAOYSA-N 0 210.586 BF 2.644 0 Anodyne ref BFAARN NNc1ccc(C(F)(F)F)cc1Cl FC(F)(F)c1ccc(Br)nc1 ZINC000000166552 83/85/05/383838505 GSKMWMFOQQBVMI-UHFFFAOYSA-N 0 225.995 BF 2.863 0 Anodyne ref BFAARN FC(F)(F)c1ccc(Br)nc1 O=C(O)c1ccc(OCc2ccccc2)cc1 ZINC000000169677 89/24/59/355892459 AQSCHALQLXXKKC-UHFFFAOYSA-N -1 228.247 BF 2.964 0 Anodyne ref BFAARM O=C([O-])c1ccc(OCc2ccccc2)cc1 in-vitro O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl ZINC000000240941 68/11/22/342681122 UGNWTBMOAKPKBL-UHFFFAOYSA-N 0 245.876 BF 2.517 0 Mild ref BFEARN O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl in-vivo O=C(O)c1cccc2c1-c1ccccc1C2=O ZINC000000265675 58/05/45/182580545 AFQYQSWTVCNJQT-UHFFFAOYSA-N -1 224.215 BF 2.596 0 Anodyne ref BFAARM O=C([O-])c1cccc2c1-c1ccccc1C2=O Brc1ccnc(Br)c1 ZINC000000330775 10/35/53/166103553 PCMMSLVJMKQWMQ-UHFFFAOYSA-N 0 236.894 BF 2.607 0 Anodyne ref BFAARN Brc1ccnc(Br)c1 Brc1cccc2ncccc12 ZINC000000331139 10/13/74/166101374 CHODTZCXWXCALP-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cccc2ncccc12 in-vitro Cc1cnc(Cl)c(Br)c1 ZINC000000332253 61/69/90/179616990 ISNRJFOYJNIKTN-UHFFFAOYSA-N 0 206.47 BF 2.806 0 Anodyne ref BFAARN Cc1cnc(Cl)c(Br)c1 O=C1c2ccccc2COc2ccccc21 ZINC000000346948 84/63/42/182846342 YUSHFLBKQQILNV-UHFFFAOYSA-N 0 210.232 BF 2.81 0 Anodyne ref BFAARN O=C1c2ccccc2COc2ccccc21 in-vitro Clc1ccc(I)cc1 ZINC000000388036 68/57/88/342685788 GWQSENYKCGJTRI-UHFFFAOYSA-N 0 238.455 BF 2.945 0 Anodyne ref BFAARN Clc1ccc(I)cc1 O=C(O)c1cc(Br)ccc1Cl ZINC000000388444 55/26/26/182552626 FGERXQWKKIVFQG-UHFFFAOYSA-N -1 235.464 BF 2.801 0 Anodyne ref BFAARM O=C([O-])c1cc(Br)ccc1Cl Cc1cc(Br)cc(C)c1O ZINC000000389687 68/58/68/342685868 ZLVFYUORUHNMBO-UHFFFAOYSA-N 0 201.063 BF 2.772 0 Anodyne ref BFAARN Cc1cc(Br)cc(C)c1O CCOC(=O)c1ccc(Br)cc1 ZINC000000389743 29/47/92/170294792 XZIAFENWXIQIKR-UHFFFAOYSA-N 0 229.073 BF 2.626 0 Anodyne ref BFAARN CCOC(=O)c1ccc(Br)cc1 O=C(O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000000389804 68/58/08/342685808 JTGCXYYDAVPSFD-UHFFFAOYSA-N -1 214.22 BF 2.757 0 Anodyne ref BFAARM O=C([O-])c1ccc(-c2ccc(O)cc2)cc1 COc1ccc2c(C(=O)O)cccc2c1 ZINC000000399024 20/34/64/175203464 WRZAWKSSADRYTA-UHFFFAOYSA-N -1 202.209 BF 2.547 0 Anodyne ref BFAARM COc1ccc2c(C(=O)[O-])cccc2c1 O=[P@H]1Oc2ccccc2-c2ccccc21 ZINC000000403162 68/68/43/342686843 VBQRUYIOTHNGOP-UHFFFAOYSA-N 0 216.176 BF 2.846 1 Anodyne mid BFAAMN O=[P@H]1Oc2ccccc2-c2ccccc21 O=[P@H]1Oc2ccccc2-c2ccccc21 ZINC000000403162 68/68/41/342686841 VBQRUYIOTHNGOP-UHFFFAOYSA-N 0 216.176 BF 2.846 0 Anodyne ref BFAARN O=[P@@H]1Oc2ccccc2-c2ccccc21 Fc1cc(F)c(Br)cc1F ZINC000000407105 68/70/92/342687092 DVTULTINXNWGJY-UHFFFAOYSA-N 0 210.98 BF 2.866 0 Anodyne ref BFAARN Fc1cc(F)c(Br)cc1F C[C@H](c1cc2ccccc2s1)N(O)C(N)=O ZINC000000896731 03/17/79/177031779 MWLSOWXNZPKENC-SSDOTTSWSA-N -1 236.296 BF 2.732 3 Anodyne high BFAAHM C[C@H](c1cc2ccccc2s1)N([O-])C(N)=O fda C[C@H](c1cc2ccccc2s1)N(O)C(N)=O ZINC000000896731 03/17/77/177031777 MWLSOWXNZPKENC-SSDOTTSWSA-N 0 236.296 BF 2.732 0 Anodyne ref BFAARN C[C@H](c1cc2ccccc2s1)N(O)C(N)=O fda Cc1ccc(I)cc1 ZINC000001003750 69/31/45/178693145 UDHAWRUAECEBHC-UHFFFAOYSA-N 0 218.037 BF 2.6 0 Anodyne ref BFAARN Cc1ccc(I)cc1 Brc1ccc2cccnc2c1 ZINC000001020114 09/90/36/166099036 XYBSZCUHOLWQQU-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1ccc2cccnc2c1 O=C1CCc2ccc(Br)cc21 ZINC000001438946 70/12/06/342701206 SEQHEDQNODAFIU-UHFFFAOYSA-N 0 211.058 BF 2.578 0 Anodyne ref BFAARN O=C1CCc2ccc(Br)cc21 in-vitro Clc1ncc(Br)c(Cl)n1 ZINC000001559999 60/14/91/180601491 SIKXIUWKPGWBBF-UHFFFAOYSA-N 0 227.876 BF 2.546 0 Anodyne ref BFAARN Clc1ncc(Br)c(Cl)n1 in-vitro CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1 ZINC000001574048 70/36/90/342703690 QQWYQAQQADNEIC-RVDMUPIBSA-N 0 246.266 BF 2.866 0 Mild ref BFEARN CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1 O=C1CCc2c(Br)cccc21 ZINC000001623473 70/62/03/342706203 UVVYFYLSZIMKMC-UHFFFAOYSA-N 0 211.058 BF 2.578 0 Anodyne ref BFAARN O=C1CCc2c(Br)cccc21 CCOC(=O)[C@@H](Br)c1ccccc1 ZINC000001670939 18/36/30/560183630 BKTKLDMYHTUESO-VIFPVBQESA-N 0 243.1 BF 2.686 0 Reactive ref BFGARN CCOC(=O)[C@@H](Br)c1ccccc1 in-vitro CC(C)C[C@@](C)(O)C#C[C@](C)(O)CC(C)C ZINC000001687071 91/04/13/355910413 LXOFYPKXCSULTL-KBPBESRZSA-N 0 226.36 BF 2.584 0 Mild ref BFEARN CC(C)C[C@@](C)(O)C#C[C@](C)(O)CC(C)C in-vitro CC(C)C[C@](C)(O)C#C[C@@](C)(O)CC(C)C ZINC000001687072 91/00/23/355910023 LXOFYPKXCSULTL-ZIAGYGMSSA-N 0 226.36 BF 2.584 0 Mild ref BFEARN CC(C)C[C@](C)(O)C#C[C@@](C)(O)CC(C)C in-vitro Cn1ccc2cc(Br)ccc21 ZINC000001727148 71/14/29/342711429 SBOITLSQLQGSLO-UHFFFAOYSA-N 0 210.074 BF 2.941 0 Anodyne ref BFAARN Cn1ccc2cc(Br)ccc21 COC(=O)c1cc(Br)ccc1C ZINC000001764702 93/52/14/383935214 FDCYLMYCHALQJR-UHFFFAOYSA-N 0 229.073 BF 2.544 0 Anodyne ref BFAARN COC(=O)c1cc(Br)ccc1C C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000001846128 62/65/45/175626545 YMBXTVYHTMGZDW-ZWNOBZJWSA-N -1 246.306 BF 2.786 0 Anodyne ref BFAARM C[C@@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1 world C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000001846129 71/28/32/342712832 YMBXTVYHTMGZDW-GWCFXTLKSA-N -1 246.306 BF 2.786 0 Anodyne ref BFAARM C[C@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1 world C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000001846130 71/29/01/342712901 YMBXTVYHTMGZDW-MFKMUULPSA-N -1 246.306 BF 2.786 0 Anodyne ref BFAARM C[C@@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1 world COC(=O)Nc1cccc2ccc(O)cc12 ZINC000001847735 91/49/97/355914997 DZNFLGGCJZUMEM-UHFFFAOYSA-N 0 217.224 BF 2.724 0 Anodyne ref BFAARN COC(=O)Nc1cccc2ccc(O)cc12 CC(=O)c1ccc(F)c(Br)c1 ZINC000002004531 94/42/86/383944286 SZDWTGAORQQQGY-UHFFFAOYSA-N 0 217.037 BF 2.791 0 Anodyne ref BFAARN CC(=O)c1ccc(F)c(Br)c1 CCOC(=O)[C@H](Br)c1ccccc1 ZINC000002043247 18/63/23/560186323 BKTKLDMYHTUESO-SECBINFHSA-N 0 243.1 BF 2.686 0 Reactive ref BFGARN CCOC(=O)[C@H](Br)c1ccccc1 in-vitro Cc1cc(Cl)cnc1Br ZINC000002383990 07/04/68/178070468 XEHWMXAUPXFOHZ-UHFFFAOYSA-N 0 206.47 BF 2.806 0 Anodyne ref BFAARN Cc1cc(Cl)cnc1Br O=C/C=C/c1ccc(Br)cc1 ZINC000002505877 18/71/13/560187113 XYRAWLRFGKLUMW-OWOJBTEDSA-N 0 211.058 BF 2.661 0 Reactive ref BFGARN O=C/C=C/c1ccc(Br)cc1 in-vitro CCOC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000002506068 29/41/19/170294119 FSMZLIBWSAMADK-UHFFFAOYSA-N 0 223.659 BF 2.998 0 Anodyne ref BFAARN CCOC(=O)c1cc2ccc(Cl)cc2[nH]1 O=C(CBr)c1ccc(F)cc1F ZINC000002512329 18/73/02/560187302 CSGDTHXBRAAOHV-UHFFFAOYSA-N 0 235.027 BF 2.542 0 Reactive ref BFGARN O=C(CBr)c1ccc(F)cc1F in-vitro O=Cc1ccc(OCc2ccccc2)c(O)c1 ZINC000002513907 86/83/68/182868368 HUNGEAFDVLSPAM-UHFFFAOYSA-N 0 228.247 BF 2.784 0 Anodyne ref BFAARN O=Cc1ccc(OCc2ccccc2)c(O)c1 in-vitro COC(=O)c1cccc(C)c1Br ZINC000002516931 96/88/73/383968873 QAOFGUXVDAZKBW-UHFFFAOYSA-N 0 229.073 BF 2.544 0 Anodyne ref BFAARN COC(=O)c1cccc(C)c1Br CC(=O)Cc1ccccc1Br ZINC000002518628 96/99/30/383969930 TZIAZLUAMDLDJF-UHFFFAOYSA-N 0 213.074 BF 2.581 0 Anodyne ref BFAARN CC(=O)Cc1ccccc1Br in-vitro Fc1cc(Br)cnc1Cl ZINC000002524878 24/64/05/187246405 OEKXUEWGXWCENG-UHFFFAOYSA-N 0 210.433 BF 2.637 0 Anodyne ref BFAARN Fc1cc(Br)cnc1Cl O=C1Cc2cc(CCCl)c(Cl)cc2N1 ZINC000002524898 18/73/39/560187339 ZTQQXEPZEYIVDK-UHFFFAOYSA-N 0 230.094 BF 2.616 0 Reactive ref BFGARN O=C1Cc2cc(CCCl)c(Cl)cc2N1 in-vitro FC(F)(F)c1cccc(Br)n1 ZINC000002526214 89/44/51/180894451 DOWNSQADAFSSAR-UHFFFAOYSA-N 0 225.995 BF 2.863 0 Anodyne ref BFAARN FC(F)(F)c1cccc(Br)n1 N#CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000002527493 03/26/94/181032694 UGKXZMBTBFELAS-UHFFFAOYSA-N 0 244.294 BF 2.559 0 Mild ref BFEARN N#CC1CCN(C(=O)OCc2ccccc2)CC1 NCc1ccc(C(F)(F)F)c(Cl)c1 ZINC000002540215 97/30/02/383973002 GRCRXCBPWHSEOI-UHFFFAOYSA-N 1 209.598 BF 2.818 0 Anodyne ref BFAARO [NH3+]Cc1ccc(C(F)(F)F)c(Cl)c1 Brc1cccc2ccncc12 ZINC000002540586 10/17/62/166101762 DPRIHFQFWWCIGY-UHFFFAOYSA-N 0 208.058 BF 2.997 0 Anodyne ref BFAARN Brc1cccc2ccncc12 in-vitro Oc1ccc(Br)c(Cl)c1 ZINC000002545221 26/71/78/183267178 FQEYHIPPYOSPLF-UHFFFAOYSA-N -1 207.454 BF 2.808 3 Anodyne high BFAAHM [O-]c1ccc(Br)c(Cl)c1 Oc1ccc(Br)c(Cl)c1 ZINC000002545221 26/71/76/183267176 FQEYHIPPYOSPLF-UHFFFAOYSA-N 0 207.454 BF 2.808 0 Anodyne ref BFAARN Oc1ccc(Br)c(Cl)c1 COc1c2occc2cc2ccc(=O)oc12 ZINC000002548959 72/38/58/342723858 QXKHYNVANLEOEG-UHFFFAOYSA-N 0 216.192 BF 2.548 0 Anodyne ref BFAARN COc1c2occc2cc2ccc(=O)oc12 fda biogenic Nc1c(C(F)(F)F)cc(Cl)nc1Cl ZINC000002555817 72/37/20/342723720 BVJJNBRZQVLPIC-UHFFFAOYSA-N 0 231.004 BF 2.989 0 Anodyne ref BFAARN Nc1c(C(F)(F)F)cc(Cl)nc1Cl COc1cccc(CBr)c1 ZINC000002558989 18/78/40/560187840 ZKSOJQDNSNJIQW-UHFFFAOYSA-N 0 201.063 BF 2.59 0 Reactive ref BFGARN COc1cccc(CBr)c1 in-vitro CCOC(=O)Cc1ccc(Br)cc1 ZINC000002565978 23/53/64/170235364 ZFDCWHPNBWPPHG-UHFFFAOYSA-N 0 243.1 BF 2.555 0 Anodyne ref BFAARN CCOC(=O)Cc1ccc(Br)cc1 N#Cc1cc(Br)ccc1Cl ZINC000002567826 08/19/33/181081933 NKDMQBUJOXQVEA-UHFFFAOYSA-N 0 216.465 BF 2.974 0 Mild ref BFEARN N#Cc1cc(Br)ccc1Cl O=C(O)c1cc2ccc(Br)cc2[nH]1 ZINC000002582710 72/57/76/342725776 SVBVYRYROZWKNJ-UHFFFAOYSA-N -1 240.056 BF 2.629 0 Anodyne ref BFAARM O=C([O-])c1cc2ccc(Br)cc2[nH]1 in-vitro CC(C)(C(=O)O)c1ccc(Br)cc1 ZINC000002583922 72/57/29/342725729 AKVOQXBQLXOEEF-UHFFFAOYSA-N -1 243.1 BF 2.811 0 Anodyne ref BFAARM CC(C)(C(=O)[O-])c1ccc(Br)cc1 in-vitro Cc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000002584308 82/24/23/385822423 KQUQBPVYIURTNZ-UHFFFAOYSA-N 0 205.135 BF 2.922 0 Bother ref BFBARN Cc1c([N+](=O)[O-])cccc1C(F)(F)F Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000002584309 82/26/72/385822672 PCCXJSOGGOWRJC-UHFFFAOYSA-N 0 205.135 BF 2.922 0 Bother ref BFBARN Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] O=C(O)[C@@H](Br)c1ccccc1Cl ZINC000002585982 18/83/56/560188356 XHAPROULWZYBGA-ZETCQYMHSA-N -1 249.491 BF 2.861 0 Reactive ref BFGARM O=C([O-])[C@@H](Br)c1ccccc1Cl in-vitro Oc1ccc(CNc2ccccc2O)cc1 ZINC000002895911 27/24/94/183272494 CUXRKYKPFBCCMM-UHFFFAOYSA-N 0 215.252 BF 2.71 0 Anodyne ref BFABRN Oc1ccc(CNc2ccccc2O)cc1