c1ccc2c(c1)OC[C@H](CN1CCCCC1)O2 ZINC000000000631 81/80/44/383818044 LYKMMUBOEFYJQG-LBPRGKRZSA-N 0 233.311 BE 2.312 3 Anodyne high BEAAHN c1ccc2c(c1)OC[C@H](CN1CCCCC1)O2 in-man c1ccc2c(c1)OC[C@H](CN1CCCCC1)O2 ZINC000000000631 81/80/42/383818042 LYKMMUBOEFYJQG-LBPRGKRZSA-N 1 233.311 BE 2.312 0 Anodyne ref BEAARO c1ccc2c(c1)OC[C@H](C[NH+]1CCCCC1)O2 in-man Cc1[nH]c(=O)c(C#N)cc1-c1ccc(C#N)cc1 ZINC000000004044 50/44/43/177504443 NMIRAZSAZYNODX-UHFFFAOYSA-N -1 235.246 BE 2.094 1 Mild mid BEEAMM Cc1[n-]c(=O)c(C#N)cc1-c1ccc(C#N)cc1 Cc1[nH]c(=O)c(C#N)cc1-c1ccc(C#N)cc1 ZINC000000004044 50/44/41/177504441 NMIRAZSAZYNODX-UHFFFAOYSA-N 0 235.246 BE 2.094 0 Mild ref BEEARN Cc1[nH]c(=O)c(C#N)cc1-c1ccc(C#N)cc1 O=C(c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000000006311 66/96/44/342669644 BXBNADAPIHHXJQ-UHFFFAOYSA-N 0 233.267 BE 2.041 0 Anodyne ref BEAARN O=C(c1ccc2c(c1)OCO2)N1CCCCC1 in-vitro C[C@@H](N)C1CCC(C(=O)Nc2ccncc2)CC1 ZINC000000006989 80/17/81/175801781 IYOZTVGMEWJPKR-VOMCLLRMSA-N 1 247.342 BE 2.174 0 Anodyne ref BEAARO C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccncc2)CC1 in-vitro CN1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1 ZINC000000016077 13/32/96/173133296 YASBOGFWAMXINH-TZMCWYRMSA-N 1 228.339 BE 2.098 1 Anodyne mid BEACMO C[N@H+]1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1 in-vitro CN1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1 ZINC000000016077 13/32/92/173133292 YASBOGFWAMXINH-TZMCWYRMSA-N 1 228.339 BE 2.098 0 Anodyne ref BEACRO C[N@@H+]1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1 in-vitro O=C(O)C#CC12CC3CC(CC(C3)C1)C2 ZINC000000052494 59/61/60/386596160 NLHRGHCCCHUIHM-UHFFFAOYSA-N -1 204.269 BE 2.291 0 Mild ref BEEARM O=C([O-])C#CC12CC3CC(CC(C3)C1)C2 N[C@H](CC(=O)O)c1ccc(Cl)c(Cl)c1 ZINC000000054332 61/22/64/181612264 ACJWNKAQMZQVBW-MRVPVSSYSA-N 0 234.082 BE 2.468 0 Anodyne ref BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(Cl)c(Cl)c1 CN1CCCN=C1/C=C/c1cccs1 ZINC000000097996 01/90/65/173019065 YSAUAVHXTIETRK-AATRIKPKSA-N 1 206.314 BE 2.495 0 Anodyne ref BEAARO CN1CCC[NH+]=C1/C=C/c1cccs1 fda COc1ccc(C2(CN)CCCC2)cc1 ZINC000000186783 08/43/61/175084361 WSNHLIUOCLAAMP-UHFFFAOYSA-N 1 205.301 BE 2.466 0 Anodyne ref BEAARO COc1ccc(C2(C[NH3+])CCCC2)cc1 O=C(Nc1ccccc1)Nc1cncnc1 ZINC000000263463 37/60/59/182376059 WORYEJOUOLFDAH-UHFFFAOYSA-N 0 214.228 BE 2.121 0 Anodyne ref BEACRN O=C(Nc1ccccc1)Nc1cncnc1 O=c1ccc2cc3ccoc3c(O)c2o1 ZINC000000895404 00/05/46/183000546 JWVYQQGERKEAHW-UHFFFAOYSA-N -1 202.165 BE 2.245 3 Anodyne high BEAAHM O=c1ccc2cc3ccoc3c([O-])c2o1 in-man endogenous O=c1ccc2cc3ccoc3c(O)c2o1 ZINC000000895404 00/05/40/183000540 JWVYQQGERKEAHW-UHFFFAOYSA-N 0 202.165 BE 2.245 0 Anodyne ref BEAARN O=c1ccc2cc3ccoc3c(O)c2o1 in-man endogenous c1ccc2c(c1)OC[C@@H](CN1CCCCC1)O2 ZINC000001019594 88/59/45/383885945 LYKMMUBOEFYJQG-GFCCVEGCSA-N 0 233.311 BE 2.312 3 Anodyne high BEAAHN c1ccc2c(c1)OC[C@@H](CN1CCCCC1)O2 in-man c1ccc2c(c1)OC[C@@H](CN1CCCCC1)O2 ZINC000001019594 88/59/42/383885942 LYKMMUBOEFYJQG-GFCCVEGCSA-N 1 233.311 BE 2.312 0 Anodyne ref BEAARO c1ccc2c(c1)OC[C@@H](C[NH+]1CCCCC1)O2 in-man Cc1nc(C#Cc2cccnc2)cs1 ZINC000001489321 36/42/50/187364250 NRBNGHCYDWUVLC-UHFFFAOYSA-N 0 200.266 BE 2.246 0 Mild ref BEEARN Cc1nc(C#Cc2cccnc2)cs1 investigational Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000001491952 31/43/03/132314303 AZKCYSCBPAJCPT-UHFFFAOYSA-N 1 225.295 BE 2.226 0 Anodyne ref BEACRO Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000001576251 37/37/42/171373742 QJCNLJWUIOIMMF-JGVFFNPUSA-N -1 231.292 BE 2.01 0 Anodyne ref BEAARM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] O=C1CCC(C(=O)O)(c2ccccc2)CC1 ZINC000001593279 70/48/84/342704884 GLXVJOPRMXBHSI-UHFFFAOYSA-N -1 218.252 BE 2.152 0 Anodyne ref BEAARM O=C1CCC(C(=O)[O-])(c2ccccc2)CC1 Cn1c(N)nc2ncc(-c3ccccc3)cc21 ZINC000001850101 62/09/94/180620994 UQVKZNNCIHJZLS-UHFFFAOYSA-N 0 224.267 BE 2.218 0 Anodyne ref BEAARN Cn1c(N)nc2ncc(-c3ccccc3)cc21 investigational endogenous COC(=O)CCC(Cl)(Cl)Cl ZINC000001871643 71/32/01/342713201 OTEHQWOCCPLELJ-UHFFFAOYSA-N 0 205.468 BE 2.31 0 Anodyne ref BEAARN COC(=O)CCC(Cl)(Cl)Cl CCCC[C@@H](CC)CNC(=O)C[C@@H](C)O ZINC000002019925 03/90/44/585039044 WTBQLHRVRKXSPX-GHMZBOCLSA-N 0 215.337 BE 2.09 0 Anodyne ref BEAARN CCCC[C@@H](CC)CNC(=O)C[C@@H](C)O in-man CCCC[C@H](CC)CNC(=O)C[C@@H](C)O ZINC000002019926 03/92/76/585039276 WTBQLHRVRKXSPX-MNOVXSKESA-N 0 215.337 BE 2.09 0 Anodyne ref BEAARN CCCC[C@H](CC)CNC(=O)C[C@@H](C)O in-man CCCC[C@@H](CC)CNC(=O)C[C@H](C)O ZINC000002019927 03/92/10/585039210 WTBQLHRVRKXSPX-WDEREUQCSA-N 0 215.337 BE 2.09 0 Anodyne ref BEAARN CCCC[C@@H](CC)CNC(=O)C[C@H](C)O in-man CCCC[C@H](CC)CNC(=O)C[C@H](C)O ZINC000002019928 03/93/06/585039306 WTBQLHRVRKXSPX-QWRGUYRKSA-N 0 215.337 BE 2.09 0 Anodyne ref BEAARN CCCC[C@H](CC)CNC(=O)C[C@H](C)O in-man Clc1cc(Cl)cc(N2CCNCC2)c1 ZINC000002168454 31/48/61/132314861 LISGMSBYRAXPJH-UHFFFAOYSA-N 0 231.126 BE 2.403 3 Anodyne high BEAAHN Clc1cc(Cl)cc(N2CCNCC2)c1 Clc1cc(Cl)cc(N2CCNCC2)c1 ZINC000002168454 31/48/59/132314859 LISGMSBYRAXPJH-UHFFFAOYSA-N 1 231.126 BE 2.403 0 Anodyne ref BEAARO Clc1cc(Cl)cc(N2CC[NH2+]CC2)c1 N[C@H](CC(=O)O)c1ccc2ccccc2c1 ZINC000002387387 71/97/62/342719762 JASNXOXPNZWQRV-GFCCVEGCSA-N 0 215.252 BE 2.314 0 Anodyne ref BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc2ccccc2c1 N[C@H](CC(=O)O)c1ccc(OC(F)(F)F)cc1 ZINC000002568892 72/47/95/342724795 CMNPXOOSNAGXEE-MRVPVSSYSA-N 0 249.188 BE 2.06 0 Anodyne ref BEAARN [NH3+][C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 CNCCCOc1ccc(Br)cc1 ZINC000002845102 34/95/74/173349574 NWAAIPDSUXUPRE-UHFFFAOYSA-N 1 244.132 BE 2.437 0 Anodyne ref BEAARO C[NH2+]CCCOc1ccc(Br)cc1 N#CCCNC12CC3CC(CC(C3)C1)C2 ZINC000003268175 73/17/95/342731795 DRROTNRHCXFLBA-UHFFFAOYSA-N 0 204.317 BE 2.458 3 Mild high BEEAHN N#CCCNC12CC3CC(CC(C3)C1)C2 N#CCCNC12CC3CC(CC(C3)C1)C2 ZINC000003268175 73/17/93/342731793 DRROTNRHCXFLBA-UHFFFAOYSA-N 1 204.317 BE 2.458 0 Mild ref BEEARO N#CCC[NH2+]C12CC3CC(CC(C3)C1)C2 C[C@H](N)C1CCC(C(=O)Nc2ccncc2)CC1 ZINC000003873971 51/27/16/353512716 IYOZTVGMEWJPKR-UNXYVOJBSA-N 1 247.342 BE 2.174 0 Anodyne ref BEAARO C[C@H]([NH3+])C1CCC(C(=O)Nc2ccncc2)CC1 in-vitro CCO/C=C/C(=O)C(F)(F)C(F)(F)F ZINC000003885886 17/95/72/170179572 GJLCTHUCEKDZCK-ONEGZZNKSA-N 0 218.121 BE 2.303 0 Mild ref BEEARN CCO/C=C/C(=O)C(F)(F)C(F)(F)F CCOC(=O)/C=C(\C)NCc1ccccc1 ZINC000003921090 18/28/28/170182828 RWPJUWHLVMMSQO-PKNBQFBNSA-N 0 219.284 BE 2.243 0 Anodyne ref BEABRN CCOC(=O)/C=C(\C)NCc1ccccc1 N[C@@H](CC(=O)O)c1ccc(OC(F)(F)F)cc1 ZINC000004051272 74/14/96/342741496 CMNPXOOSNAGXEE-QMMMGPOBSA-N 0 249.188 BE 2.06 0 Anodyne ref BEAARN [NH3+][C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 CCCCNC[C@@H]1COc2ccccc2O1 ZINC000004212239 56/17/96/385561796 ODRQYAHPAJZPQP-LLVKDONJSA-N 1 221.3 BE 2.216 0 Anodyne ref BEADRO CCCC[NH2+]C[C@@H]1COc2ccccc2O1 in-man c1ccc(N2CCC3(CCNCC3)CC2)nc1 ZINC000004238135 31/63/52/132316352 WAXJEURRWLTWEC-UHFFFAOYSA-N 2 231.343 BE 2.052 2 Anodyne low BEAALP c1ccc(N2CCC3(CC[NH2+]CC3)CC2)[nH+]c1 c1ccc(N2CCC3(CCNCC3)CC2)nc1 ZINC000004238135 31/63/49/132316349 WAXJEURRWLTWEC-UHFFFAOYSA-N 1 231.343 BE 2.052 0 Anodyne ref BEAARO c1ccc(N2CCC3(CC[NH2+]CC3)CC2)nc1 N/C(=N\O)c1cc(Cl)cc(Cl)c1 ZINC000004394682 18/11/54/181181154 DAZPWIRNTCKHSL-UHFFFAOYSA-N 0 205.044 BE 2.088 0 Mild ref BEEARN N/C(=N\O)c1cc(Cl)cc(Cl)c1 Cn1c([C@@H]2CCCCN2)nc2ccccc21 ZINC000005409175 76/33/45/342763345 OEHJWAIIVLBHJS-NSHDSACASA-N 0 215.3 BE 2.388 3 Anodyne high BEAAHN Cn1c([C@@H]2CCCCN2)nc2ccccc21 Cn1c([C@@H]2CCCCN2)nc2ccccc21 ZINC000005409175 76/33/44/342763344 OEHJWAIIVLBHJS-NSHDSACASA-N 1 215.3 BE 2.388 0 Anodyne ref BEAARO Cn1c([C@@H]2CCCC[NH2+]2)nc2ccccc21 Cn1c([C@H]2CCCCN2)nc2ccccc21 ZINC000005409177 76/33/39/342763339 OEHJWAIIVLBHJS-LLVKDONJSA-N 0 215.3 BE 2.388 3 Anodyne high BEAAHN Cn1c([C@H]2CCCCN2)nc2ccccc21 Cn1c([C@H]2CCCCN2)nc2ccccc21 ZINC000005409177 76/33/38/342763338 OEHJWAIIVLBHJS-LLVKDONJSA-N 1 215.3 BE 2.388 0 Anodyne ref BEAARO Cn1c([C@H]2CCCC[NH2+]2)nc2ccccc21 CCCCNC[C@H]1COc2ccccc2O1 ZINC000005513878 86/76/87/168867687 ODRQYAHPAJZPQP-NSHDSACASA-N 1 221.3 BE 2.216 0 Anodyne ref BEADRO CCCC[NH2+]C[C@H]1COc2ccccc2O1 in-man CC[C@@H](C)OC(=O)CCC(=O)O[C@H](C)CC ZINC000005922355 77/16/62/342771662 PJZURRKQOJYGAU-NXEZZACHSA-N 0 230.304 BE 2.45 0 Anodyne ref BEAARN CC[C@@H](C)OC(=O)CCC(=O)O[C@H](C)CC CC[C@H](C)OC(=O)CCC(=O)O[C@@H](C)CC ZINC000005925020 35/14/37/171351437 PJZURRKQOJYGAU-UWVGGRQHSA-N 0 230.304 BE 2.45 0 Anodyne ref BEAARN CC[C@H](C)OC(=O)CCC(=O)O[C@@H](C)CC OC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006116733 14/39/23/183143923 IMXUYOYYNZMNDM-AWEZNQCLSA-N 0 244.29 BE 2.086 0 Anodyne ref BEAARN OC[C@H](O)COc1ccc(-c2ccccc2)cc1 COc1cccc(Cc2cnc(N)s2)c1 ZINC000007276243 27/27/99/175272799 SJCCSOXYGUGKMD-UHFFFAOYSA-N 0 220.297 BE 2.325 0 Anodyne ref BEAARN COc1cccc(Cc2cnc(N)s2)c1 O=C(O)c1cc(O)c2ccc(Cl)cc2n1 ZINC000008660417 80/17/77/342801777 UAWVRVFHMOSAPU-UHFFFAOYSA-N -1 223.615 BE 2.292 0 Anodyne ref BEAARM O=C([O-])c1cc(=O)c2ccc(Cl)cc2[nH]1 in-vitro CNCc1nc2ccccc2n1C(F)F ZINC000008708125 39/65/35/173396535 JHWMYJSMCLKAGA-UHFFFAOYSA-N 0 211.215 BE 2.151 3 Anodyne high BEAAHN CNCc1nc2ccccc2n1C(F)F CNCc1nc2ccccc2n1C(F)F ZINC000008708125 39/65/31/173396531 JHWMYJSMCLKAGA-UHFFFAOYSA-N 1 211.215 BE 2.151 0 Anodyne ref BEAARO C[NH2+]Cc1nc2ccccc2n1C(F)F COc1ccc2[nH]c(C3CCNCC3)nc2c1 ZINC000011567883 28/98/76/384289876 BOXYYPUGLOCCOE-UHFFFAOYSA-N 2 231.299 BE 2.038 2 Anodyne low BEAALP COc1ccc2[nH]c(C3CC[NH2+]CC3)[nH+]c2c1 COc1ccc2[nH]c(C3CCNCC3)nc2c1 ZINC000011567883 28/98/70/384289870 BOXYYPUGLOCCOE-UHFFFAOYSA-N 1 231.299 BE 2.038 1 Anodyne mid BEAAMO COc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1 COc1ccc2[nH]c(C3CCNCC3)nc2c1 ZINC000011567883 28/98/63/384289863 BOXYYPUGLOCCOE-UHFFFAOYSA-N 1 231.299 BE 2.038 0 Anodyne ref BEAARO COc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 CC(C)(C)OC(=O)N[C@H](CN)c1ccccc1 ZINC000011593544 29/23/69/384292369 IJALRZPKODHZOR-LLVKDONJSA-N 0 236.315 BE 2.211 3 Anodyne high BEAAHN CC(C)(C)OC(=O)N[C@H](CN)c1ccccc1 CC(C)(C)OC(=O)N[C@H](CN)c1ccccc1 ZINC000011593544 29/23/65/384292365 IJALRZPKODHZOR-LLVKDONJSA-N 1 236.315 BE 2.211 0 Anodyne ref BEAARO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1ccccc1 COC(=O)c1csc(-c2cccc(CN)c2)n1 ZINC000011887470 84/40/59/342844059 CGFBMESAZILILR-UHFFFAOYSA-N 1 248.307 BE 2.055 0 Anodyne ref BEAARO COC(=O)c1csc(-c2cccc(C[NH3+])c2)n1 Brc1cncc2ncccc12 ZINC000011919339 10/66/92/166106692 WNFILKMJRFZJBF-UHFFFAOYSA-N 0 209.046 BE 2.392 0 Anodyne ref BEAARN Brc1cncc2ncccc12 CC(C)(C)OC(=O)N[C@@H](CN)c1ccccc1 ZINC000012357232 84/98/53/342849853 IJALRZPKODHZOR-NSHDSACASA-N 0 236.315 BE 2.211 3 Anodyne high BEAAHN CC(C)(C)OC(=O)N[C@@H](CN)c1ccccc1 CC(C)(C)OC(=O)N[C@@H](CN)c1ccccc1 ZINC000012357232 84/98/50/342849850 IJALRZPKODHZOR-NSHDSACASA-N 1 236.315 BE 2.211 0 Anodyne ref BEAARO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1ccccc1 O=C(O)c1ccc2[nH]cc(CN3CCCC3)c2c1 ZINC000012407622 85/18/48/342851848 LXYZCSJJBICKQP-UHFFFAOYSA-N 0 244.294 BE 2.462 0 Anodyne ref BEAARN O=C([O-])c1ccc2[nH]cc(C[NH+]3CCCC3)c2c1 Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2 ZINC000012803932 30/09/16/178300916 ZFSVZZUTELKOKO-RNFRBKRXSA-N 0 219.21 BE 2.499 0 Anodyne ref BEAARN Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2 O[C@@H]1c2ccccc2CCc2ccncc21 ZINC000013282584 35/24/09/384352409 QKFXTKYWOCKZFP-CQSZACIVSA-N 0 211.264 BE 2.262 0 Anodyne ref BEAARN O[C@@H]1c2ccccc2CCc2ccncc21 O[C@H]1c2ccccc2CCc2ccncc21 ZINC000013282585 45/01/48/133450148 QKFXTKYWOCKZFP-AWEZNQCLSA-N 0 211.264 BE 2.262 0 Anodyne ref BEAARN O[C@H]1c2ccccc2CCc2ccncc21 O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\O ZINC000013829418 82/25/25/182822525 CVOUSAVHMDXCKG-UHFFFAOYSA-N -1 231.038 BE 2.124 0 Mild ref BEEARM O=C1Nc2c(ccc(Cl)c2Cl)/C1=N\[O-] in-vitro COC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000015440641 89/62/98/342896298 SNVRBOCTVFEKPZ-SECBINFHSA-N 0 247.216 BE 2.268 3 Anodyne high BEAAHN COC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 COC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000015440641 89/62/97/342896297 SNVRBOCTVFEKPZ-SECBINFHSA-N 1 247.216 BE 2.268 0 Anodyne ref BEAARO COC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 COC(=O)C[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000015440643 89/63/79/342896379 SNVRBOCTVFEKPZ-VIFPVBQESA-N 0 247.216 BE 2.268 3 Anodyne high BEAAHN COC(=O)C[C@H](N)c1ccc(C(F)(F)F)cc1 COC(=O)C[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000015440643 89/63/78/342896378 SNVRBOCTVFEKPZ-VIFPVBQESA-N 1 247.216 BE 2.268 0 Anodyne ref BEAARO COC(=O)C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1 ZINC000015923500 58/10/43/356581043 VDPMRMLCAJPWSP-UHFFFAOYSA-N 0 249.32 BE 2.092 1 Mild mid BEEAMN CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1 CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1 ZINC000015923500 58/10/38/356581038 VDPMRMLCAJPWSP-UHFFFAOYSA-N 0 249.32 BE 2.092 0 Mild ref BEEARN CSc1nc(-c2cccs2)c(C#N)c(=O)[n-]1 N/C(=N/O)c1ccc(Cl)cc1Cl ZINC000015924061 18/00/01/181180001 MANQHFUAAAGDIX-UHFFFAOYSA-N -1 205.044 BE 2.088 3 Mild high BEEAHM N/C(=N/[O-])c1ccc(Cl)cc1Cl N/C(=N/O)c1ccc(Cl)cc1Cl ZINC000015924061 17/99/98/181179998 MANQHFUAAAGDIX-UHFFFAOYSA-N 0 205.044 BE 2.088 0 Mild ref BEEARN N/C(=N/O)c1ccc(Cl)cc1Cl NCc1cccnc1Oc1ccccc1 ZINC000019257938 29/04/76/386290476 FZHUTEWGNZVBIR-UHFFFAOYSA-N 0 200.241 BE 2.333 3 Anodyne high BEAAHN NCc1cccnc1Oc1ccccc1 NCc1cccnc1Oc1ccccc1 ZINC000019257938 29/04/55/386290455 FZHUTEWGNZVBIR-UHFFFAOYSA-N 1 200.241 BE 2.333 0 Anodyne ref BEAARO [NH3+]Cc1cccnc1Oc1ccccc1 NCc1cccnc1Oc1ccccc1F ZINC000019260732 22/54/02/488225402 QCYBHAPZSNIIJO-UHFFFAOYSA-N 0 218.231 BE 2.472 3 Anodyne high BEAAHN NCc1cccnc1Oc1ccccc1F NCc1cccnc1Oc1ccccc1F ZINC000019260732 22/53/95/488225395 QCYBHAPZSNIIJO-UHFFFAOYSA-N 1 218.231 BE 2.472 0 Anodyne ref BEAARO [NH3+]Cc1cccnc1Oc1ccccc1F Brc1ccccc1CC1CNC1 ZINC000019441313 10/31/69/166103169 VHFZIHZIYYFWGZ-UHFFFAOYSA-N 1 226.117 BE 2.211 0 Anodyne ref BEAARO Brc1ccccc1CC1C[NH2+]C1 NCCOc1ccc(Cl)c2cccnc12 ZINC000019481805 47/64/32/487476432 ULMQMZDLZLBTDG-UHFFFAOYSA-N 1 222.675 BE 2.226 0 Anodyne ref BEAARO [NH3+]CCOc1ccc(Cl)c2cccnc12 CC(C)(C)c1ccc([C@@H](O)CCN)cc1 ZINC000019674771 81/49/02/219814902 BWLRSHGKMGRZFV-LBPRGKRZSA-N 1 207.317 BE 2.366 0 Anodyne ref BEAARO CC(C)(C)c1ccc([C@@H](O)CC[NH3+])cc1 CC(C)(C)c1ccc([C@H](O)CCN)cc1 ZINC000019674773 53/07/69/384530769 BWLRSHGKMGRZFV-GFCCVEGCSA-N 1 207.317 BE 2.366 0 Anodyne ref BEAARO CC(C)(C)c1ccc([C@H](O)CC[NH3+])cc1 Cc1onc(-c2cccc(F)c2)c1C(=O)O ZINC000019682376 95/36/56/342953656 BOTWBGBHYPTPRX-UHFFFAOYSA-N -1 221.187 BE 2.487 0 Anodyne ref BEAARM Cc1onc(-c2cccc(F)c2)c1C(=O)[O-] O=C(O)c1ccc2c(CN3CCCC3)c[nH]c2c1 ZINC000019702826 95/41/06/342954106 IAFZXXDJEKTIQJ-UHFFFAOYSA-N 0 244.294 BE 2.462 0 Anodyne ref BEAARN O=C([O-])c1ccc2c(C[NH+]3CCCC3)c[nH]c2c1 COc1cc2c(cc1OC)[C@H](N)CCCC2 ZINC000019727446 02/53/52/175025352 ZRFAAVVYTSTEQL-LLVKDONJSA-N 1 221.3 BE 2.43 0 Anodyne ref BEAARO COc1cc2c(cc1OC)[C@H]([NH3+])CCCC2 COc1cc2c(cc1OC)[C@@H](N)CCCC2 ZINC000019727447 02/58/97/175025897 ZRFAAVVYTSTEQL-NSHDSACASA-N 1 221.3 BE 2.43 0 Anodyne ref BEAARO COc1cc2c(cc1OC)[C@@H]([NH3+])CCCC2 CC1CCN(Cc2ccccc2CN)CC1 ZINC000020284076 18/36/96/168183696 NBBLXVUSEVKIBE-UHFFFAOYSA-N 1 218.344 BE 2.377 3 Anodyne high BEAAHO CC1CC[NH+](Cc2ccccc2CN)CC1 CC1CCN(Cc2ccccc2CN)CC1 ZINC000020284076 18/36/93/168183693 NBBLXVUSEVKIBE-UHFFFAOYSA-N 2 218.344 BE 2.377 0 Anodyne ref BEAARP CC1CC[NH+](Cc2ccccc2C[NH3+])CC1 Nc1ccc(-n2ccnc2)cc1C(F)(F)F ZINC000021959228 03/06/91/343030691 OXCRZVJIMYTILT-UHFFFAOYSA-N 1 227.189 BE 2.473 2 Anodyne low BEAALO Nc1ccc(-n2cc[nH+]c2)cc1C(F)(F)F Nc1ccc(-n2ccnc2)cc1C(F)(F)F ZINC000021959228 03/06/90/343030690 OXCRZVJIMYTILT-UHFFFAOYSA-N 0 227.189 BE 2.473 0 Anodyne ref BEAARN Nc1ccc(-n2ccnc2)cc1C(F)(F)F N/C(=N/O)c1ccc(Cl)c(Cl)c1 ZINC000022121802 18/01/39/181180139 IJWZEFKKFRYHKP-UHFFFAOYSA-N -1 205.044 BE 2.088 3 Mild high BEEAHM N/C(=N/[O-])c1ccc(Cl)c(Cl)c1 N/C(=N/O)c1ccc(Cl)c(Cl)c1 ZINC000022121802 18/01/35/181180135 IJWZEFKKFRYHKP-UHFFFAOYSA-N 0 205.044 BE 2.088 0 Mild ref BEEARN N/C(=N/O)c1ccc(Cl)c(Cl)c1 CCOc1ccccc1O[C@@H]1CCC[C@@H]1N ZINC000022563248 05/17/27/343051727 OBVRFUXKSGFHQB-WDEREUQCSA-N 1 221.3 BE 2.344 0 Anodyne ref BEAARO CCOc1ccccc1O[C@@H]1CCC[C@@H]1[NH3+] NCCC[P@@](=O)(O)CC1CCCCC1 ZINC000026988293 38/58/30/181385830 XOESDNIUAWGCLU-UHFFFAOYSA-N 0 219.265 BE 2.186 1 Anodyne mid BEAAMN [NH3+]CCC[P@](=O)([O-])CC1CCCCC1 in-vitro NCCC[P@@](=O)(O)CC1CCCCC1 ZINC000026988293 38/58/29/181385829 XOESDNIUAWGCLU-UHFFFAOYSA-N 0 219.265 BE 2.186 0 Anodyne ref BEAARN [NH3+]CCC[P@@](=O)([O-])CC1CCCCC1 in-vitro CCCC[C@H](C(=O)O)N1Cc2ccccc2C1=O ZINC000028166997 90/14/43/537901443 GHQIXBHPQQGSOM-GFCCVEGCSA-N -1 247.294 BE 2.286 0 Anodyne ref BEAARM CCCC[C@H](C(=O)[O-])N1Cc2ccccc2C1=O CCCC[C@@H](C(=O)O)N1Cc2ccccc2C1=O ZINC000028167002 90/03/09/537900309 GHQIXBHPQQGSOM-LBPRGKRZSA-N -1 247.294 BE 2.286 0 Anodyne ref BEAARM CCCC[C@@H](C(=O)[O-])N1Cc2ccccc2C1=O Cc1cnc2cccc(Br)n12 ZINC000030677915 19/33/65/343193365 BLPMWJDXOIVLQZ-UHFFFAOYSA-N 1 211.062 BE 2.405 1 Anodyne mid BEAAMO Cc1c[nH+]c2cccc(Br)n12