CCOC(=O)c1c(C)n(C)c2ccc(O)cc12 ZINC000000001652 28/85/49/170288549 YTBNTDMBGXAOCG-UHFFFAOYSA-N 0 233.267 BE 2.369 0 Anodyne ref BEAARN CCOC(=O)c1c(C)n(C)c2ccc(O)cc12 in-man CCOC(=O)c1c(N)sc2c1CCCC2 ZINC000000035815 28/90/41/170289041 CDYVTVLXEWMCHU-UHFFFAOYSA-N 0 225.313 BE 2.386 0 Anodyne ref BEAARN CCOC(=O)c1c(N)sc2c1CCCC2 Cc1ccc(C(=O)O)cc1Br ZINC000000038386 81/98/74/383819874 ZFJOMUKPDWNRFI-UHFFFAOYSA-N -1 215.046 BE 2.456 0 Anodyne ref BEAARM Cc1ccc(C(=O)[O-])cc1Br O=C(O)COc1cccc2ccccc12 ZINC000000038389 52/83/89/384528389 GHRYSOFWKRRLMI-UHFFFAOYSA-N -1 202.209 BE 2.303 0 Anodyne ref BEAARM O=C([O-])COc1cccc2ccccc12 in-vivo Cc1cc(OCC(=O)O)ccc1Cl ZINC000000038647 20/98/28/178209828 FBGYNJKXMKWETB-UHFFFAOYSA-N -1 200.621 BE 2.112 0 Anodyne ref BEAARM Cc1cc(OCC(=O)[O-])ccc1Cl Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000043840 67/12/38/342671238 KAESCVXWIWIQKP-UHFFFAOYSA-N 0 218.3 BE 2.331 0 Anodyne ref BEAARN Nc1ccc(C(=O)NC2CCCCC2)cc1 Cc1cc(OCC(=O)O)ccc1Br ZINC000000054738 20/91/97/178209197 XBWSIQZJWUSHEH-UHFFFAOYSA-N -1 245.072 BE 2.221 0 Anodyne ref BEAARM Cc1cc(OCC(=O)[O-])ccc1Br OCc1ccccc1CNCc1ccccc1 ZINC000000054755 09/87/86/188098786 LRHGUVTYQKKKBU-UHFFFAOYSA-N 0 227.307 BE 2.469 3 Anodyne high BEAAHN OCc1ccccc1CNCc1ccccc1 OCc1ccccc1CNCc1ccccc1 ZINC000000054755 09/87/83/188098783 LRHGUVTYQKKKBU-UHFFFAOYSA-N 1 227.307 BE 2.469 0 Anodyne ref BEAARO OCc1ccccc1C[NH2+]Cc1ccccc1 O=C(NNc1ccccc1)NNc1ccccc1 ZINC000000061039 17/71/74/560177174 KSPIHGBHKVISFI-UHFFFAOYSA-N 0 242.282 BE 2.34 0 Reactive ref BEGARN O=C(NNc1ccccc1)NNc1ccccc1 in-vitro Cc1cc(OCC(=O)O)cc(C)c1Cl ZINC000000080503 21/03/33/178210333 IJOSXVVFEKXIGN-UHFFFAOYSA-N -1 214.648 BE 2.42 0 Anodyne ref BEAARM Cc1cc(OCC(=O)[O-])cc(C)c1Cl in-vitro CCOC(=O)c1[nH]c2c(c1C)CCCC2 ZINC000000081545 28/63/15/170286315 VBUIMFUYPUPWSD-UHFFFAOYSA-N 0 207.273 BE 2.379 0 Clean ref BECARN CCOC(=O)c1[nH]c2c(c1C)CCCC2 Cc1cc(Br)ccc1OCC(=O)O ZINC000000103261 72/36/08/177723608 RPRFEMOMSGWISD-UHFFFAOYSA-N -1 245.072 BE 2.221 0 Anodyne ref BEAARM Cc1cc(Br)ccc1OCC(=O)[O-] O=C(O)[C@H](Cc1ccccc1)n1cccc1 ZINC000000112459 67/50/45/342675045 SSUGRWDGXQIOME-LBPRGKRZSA-N -1 215.252 BE 2.357 0 Anodyne ref BEAARM O=C([O-])[C@H](Cc1ccccc1)n1cccc1 in-vitro biogenic O=C(O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000000112462 67/51/37/342675137 SSUGRWDGXQIOME-GFCCVEGCSA-N -1 215.252 BE 2.357 0 Anodyne ref BEAARM O=C([O-])[C@@H](Cc1ccccc1)n1cccc1 in-vitro biogenic Cc1cc(C)c(NC(=O)CCC(=O)O)c(C)c1 ZINC000000113260 67/50/56/342675056 PJMRDZKSIBMEJF-UHFFFAOYSA-N -1 235.283 BE 2.415 0 Anodyne ref BEAARM Cc1cc(C)c(NC(=O)CCC(=O)[O-])c(C)c1 Nc1cccc(NC(=O)c2ccco2)c1 ZINC000000123098 74/61/11/181746111 DNCIKRMVVUFNGX-UHFFFAOYSA-N 0 202.213 BE 2.114 0 Anodyne ref BEAARN Nc1cccc(NC(=O)c2ccco2)c1 CC(=O)N1CCc2cc(Br)ccc21 ZINC000000124999 27/24/08/188272408 WQKQAIXOTCPWFE-UHFFFAOYSA-N 0 240.1 BE 2.358 0 Anodyne ref BEAARN CC(=O)N1CCc2cc(Br)ccc21 Cc1c(Cc2ccccc2)sc(N)c1C(N)=O ZINC000000125483 40/77/70/187407770 SVRNCQRVCHVFGG-UHFFFAOYSA-N 0 246.335 BE 2.328 0 Anodyne ref BEAARN Cc1c(Cc2ccccc2)sc(N)c1C(N)=O aggregator Nc1ccccc1C(=O)NC1CCCCC1 ZINC000000128301 67/61/12/342676112 AHWGBTCRPVCUBP-UHFFFAOYSA-N 0 218.3 BE 2.331 0 Anodyne ref BEAARN Nc1ccccc1C(=O)NC1CCCCC1 Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000000128305 67/61/27/342676127 BVUCIDPYOGNAEQ-UHFFFAOYSA-N 0 240.306 BE 2.241 0 Anodyne ref BEAARN Nc1ccccc1C(=O)NCCc1ccccc1 Nc1ccccc1C(=O)N1CCCCCC1 ZINC000000134187 67/64/35/342676435 IYVSAXXHASZZBO-UHFFFAOYSA-N 0 218.3 BE 2.285 0 Anodyne ref BEAARN Nc1ccccc1C(=O)N1CCCCCC1 Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000141883 67/66/22/342676622 YBUXKQSCKVQATK-UHFFFAOYSA-N -1 248.307 BE 2.07 3 Anodyne high BEAAHM Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 in-man Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000141883 67/66/19/342676619 YBUXKQSCKVQATK-UHFFFAOYSA-N 0 248.307 BE 2.07 0 Anodyne ref BEAARN Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 in-man Cc1ccc(OCC(=O)O)c(Br)c1 ZINC000000143585 67/69/86/342676986 SIAQBSDQFZWINQ-UHFFFAOYSA-N -1 245.072 BE 2.221 0 Anodyne ref BEAARM Cc1ccc(OCC(=O)[O-])c(Br)c1 C[C@H](Oc1ccccc1Cl)C(=O)O ZINC000000155409 02/48/03/177024803 ZGWNXHRVUJVMCP-LURJTMIESA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@H](Oc1ccccc1Cl)C(=O)[O-] C[C@@H](Oc1ccccc1Cl)C(=O)O ZINC000000155410 00/61/23/176006123 ZGWNXHRVUJVMCP-ZCFIWIBFSA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@@H](Oc1ccccc1Cl)C(=O)[O-] C[C@H](Oc1ccc(Cl)cc1)C(=O)O ZINC000000155443 02/23/03/177022303 DKHJWWRYTONYHB-LURJTMIESA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@H](Oc1ccc(Cl)cc1)C(=O)[O-] in-vitro C[C@@H](Oc1ccc(Cl)cc1)C(=O)O ZINC000000155444 00/38/95/176003895 DKHJWWRYTONYHB-ZCFIWIBFSA-N -1 200.621 BE 2.192 0 Anodyne ref BEAARM C[C@@H](Oc1ccc(Cl)cc1)C(=O)[O-] in-vitro COc1ccc(C(=O)O)cc1Br ZINC000000156527 06/42/97/175064297 BBPZABXVRBFWGD-UHFFFAOYSA-N -1 231.045 BE 2.156 0 Anodyne ref BEAARM COc1ccc(C(=O)[O-])cc1Br CC(C)(C)c1ccc(OCC(=O)O)cc1 ZINC000000157210 83/61/16/383836116 FBIGAJNVRFKBJL-UHFFFAOYSA-N -1 208.257 BE 2.447 0 Anodyne ref BEAARM CC(C)(C)c1ccc(OCC(=O)[O-])cc1 Cc1onc(-c2ccccc2)c1C(=O)O ZINC000000158490 55/23/31/180552331 PENHKTNQUJMHIR-UHFFFAOYSA-N -1 203.197 BE 2.348 0 Anodyne ref BEAARM Cc1onc(-c2ccccc2)c1C(=O)[O-] in-vitro Cc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000000217304 61/20/75/178612075 RYOHDRPJJLVPCE-CYBMUJFWSA-N 1 205.301 BE 2.264 0 Anodyne ref BEAARO Cc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 Cc1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000000217309 68/02/83/342680283 RYOHDRPJJLVPCE-ZDUSSCGKSA-N 1 205.301 BE 2.264 0 Anodyne ref BEAARO Cc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 O=C(O)[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21 ZINC000000218780 52/28/37/182522837 MYWYIHKEXNJAGX-YGOYTEALSA-N -1 233.242 BE 2.364 0 Clean ref BECARM O=C([O-])[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21 CCOC(=O)c1cc(Br)ccc1O ZINC000000265717 29/08/64/170290864 OGILVZCKMMXBJI-UHFFFAOYSA-N 0 245.072 BE 2.331 0 Anodyne ref BEAARN CCOC(=O)c1cc(Br)ccc1O COc1ccc2nc(C(=O)O)sc2c1 ZINC000000340142 22/80/54/175228054 JDKMYJZEGZZJOH-UHFFFAOYSA-N -1 209.226 BE 2.003 0 Anodyne ref BEAARM COc1ccc2nc(C(=O)[O-])sc2c1 Cc1cccc(CNC[C@H]2CCCO2)c1 ZINC000000357566 09/42/74/179094274 PPDHTNFZZGECOU-CYBMUJFWSA-N 1 205.301 BE 2.264 0 Anodyne ref BEAARO Cc1cccc(C[NH2+]C[C@H]2CCCO2)c1 Cc1cccc(CNC[C@@H]2CCCO2)c1 ZINC000000357567 09/19/33/179091933 PPDHTNFZZGECOU-ZDUSSCGKSA-N 1 205.301 BE 2.264 0 Anodyne ref BEAARO Cc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000362891 68/49/40/342684940 ZWMQLNXGNSNUEO-UHFFFAOYSA-N 0 226.279 BE 2.199 0 Anodyne ref BEAARN Nc1ccc(C(=O)NCc2ccccc2)cc1 O=C(OCc1ccccc1)c1cccnc1 ZINC000000391816 77/56/90/351775690 KVYGGMBOZFWZBQ-UHFFFAOYSA-N 0 213.236 BE 2.439 0 Anodyne ref BEAARN O=C(OCc1ccccc1)c1cccnc1 in-man CCOc1ccc(C(=O)O)c(OCC)c1 ZINC000000403467 68/67/36/342686736 UQAATGIOFSGRDA-UHFFFAOYSA-N -1 210.229 BE 2.182 0 Anodyne ref BEAARM CCOc1ccc(C(=O)[O-])c(OCC)c1 CC1CCN(C(=O)c2ccccc2N)CC1 ZINC000000539602 17/67/62/168176762 NEWJUESKKWKYOU-UHFFFAOYSA-N 0 218.3 BE 2.141 0 Anodyne ref BEAARN CC1CCN(C(=O)c2ccccc2N)CC1 Nn1c(C2CCCCC2)nc2ccccc2c1=O ZINC000000818218 68/12/70/388681270 UTXWCFSTRZXNQG-UHFFFAOYSA-N 0 243.31 BE 2.158 0 Anodyne ref BEAARN Nn1c(C2CCCCC2)nc2ccccc2c1=O CC1CCN(C(=O)c2ccc(N)cc2)CC1 ZINC000000873655 17/65/59/168176559 SOVNVUQEIMQSDL-UHFFFAOYSA-N 0 218.3 BE 2.141 0 Anodyne ref BEAARN CC1CCN(C(=O)c2ccc(N)cc2)CC1 Clc1cccc(Cl)c1N=C1NCCN1 ZINC000000896484 69/44/13/342694413 GJSURZIOUXUGAL-UHFFFAOYSA-N 0 230.098 BE 2.174 3 Mild high BEEAHN Clc1cccc(Cl)c1NC1=NCCN1 fda aggregator Clc1cccc(Cl)c1N=C1NCCN1 ZINC000000896484 69/44/11/342694411 GJSURZIOUXUGAL-UHFFFAOYSA-N 0 230.098 BE 2.174 0 Mild ref BEEARN Clc1cccc(Cl)c1NC1=[NH+]CCN1 fda aggregator CCCN[C@@H](C)C(=O)Nc1ccccc1C ZINC000001530816 27/47/71/169274771 MVFGUOIZUNYYSO-NSHDSACASA-N 0 220.316 BE 2.322 3 Anodyne high BEAAHN CCCN[C@@H](C)C(=O)Nc1ccccc1C fda CCCN[C@@H](C)C(=O)Nc1ccccc1C ZINC000001530816 27/47/69/169274769 MVFGUOIZUNYYSO-NSHDSACASA-N 1 220.316 BE 2.322 0 Anodyne ref BEAARO CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C fda CCCN[C@H](C)C(=O)Nc1ccccc1C ZINC000001530817 28/49/11/169284911 MVFGUOIZUNYYSO-LLVKDONJSA-N 0 220.316 BE 2.322 3 Anodyne high BEAAHN CCCN[C@H](C)C(=O)Nc1ccccc1C fda CCCN[C@H](C)C(=O)Nc1ccccc1C ZINC000001530817 28/49/10/169284910 MVFGUOIZUNYYSO-LLVKDONJSA-N 1 220.316 BE 2.322 0 Anodyne ref BEAARO CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C fda O=C(O)CCCCCCCCC(=O)O ZINC000001531045 90/26/63/383902663 CXMXRPHRNRROMY-UHFFFAOYSA-N -2 202.25 BE 2.276 0 Anodyne ref BEAARL O=C([O-])CCCCCCCCC(=O)[O-] in-man endogenous O=C1C=Cc2cc(Br)ccc2C1=O ZINC000001670110 45/49/18/188454918 MXWZRRPNVLCHMY-UHFFFAOYSA-N 0 237.052 BE 2.228 0 Mild ref BEEARN O=C1C=Cc2cc(Br)ccc2C1=O in-vitro CCOc1ccc(NCCCCO)cc1 ZINC000002132394 71/59/63/342715963 XIJLICADXUMRDT-UHFFFAOYSA-N 1 209.289 BE 2.27 2 Anodyne low BEAALO CCOc1ccc([NH2+]CCCCO)cc1 CCOc1ccc(NCCCCO)cc1 ZINC000002132394 71/59/60/342715960 XIJLICADXUMRDT-UHFFFAOYSA-N 0 209.289 BE 2.27 0 Anodyne ref BEAARN CCOc1ccc(NCCCCO)cc1 O=C(O)COc1ccc2ccccc2c1 ZINC000002170233 41/18/39/574411839 RZCJYMOBWVJQGV-UHFFFAOYSA-N -1 202.209 BE 2.303 0 Anodyne ref BEAARM O=C([O-])COc1ccc2ccccc2c1 in-man endogenous Clc1ccc(OC2CCNCC2)cc1 ZINC000002513137 58/36/59/180583659 VOQMPZXAFLPTMM-UHFFFAOYSA-N 1 211.692 BE 2.471 0 Anodyne ref BEAARO Clc1ccc(OC2CC[NH2+]CC2)cc1 O=C(O)CCC(=O)OCCCc1ccccc1 ZINC000002552056 97/41/55/383974155 HITVXFZLGRACID-UHFFFAOYSA-N -1 236.267 BE 2.027 0 Anodyne ref BEAARM O=C([O-])CCC(=O)OCCCc1ccccc1 Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000002566561 72/46/22/342724622 JJLMPFXNGNFLNI-UHFFFAOYSA-N 0 226.279 BE 2.199 0 Anodyne ref BEAARN Nc1cccc(C(=O)NCc2ccccc2)c1 Clc1ccccc1OC1CCNCC1 ZINC000002583841 59/58/81/180595881 BSFOBRFGIFRVCP-UHFFFAOYSA-N 1 211.692 BE 2.471 0 Anodyne ref BEAARO Clc1ccccc1OC1CC[NH2+]CC1 Nc1ccccc1C(=O)NCc1ccccc1 ZINC000003886415 75/26/59/181752659 ANVAEYULLAJMQX-UHFFFAOYSA-N 0 226.279 BE 2.199 0 Anodyne ref BEAARN Nc1ccccc1C(=O)NCc1ccccc1 COc1ccc(Br)cc1C(=O)O ZINC000003957244 05/13/53/175051353 JFDUXZIRWBYBAQ-UHFFFAOYSA-N -1 231.045 BE 2.156 0 Anodyne ref BEAARM COc1ccc(Br)cc1C(=O)[O-] O=C(O)[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]12 ZINC000004011520 74/06/64/342740664 MYWYIHKEXNJAGX-VDDIYKPWSA-N -1 233.242 BE 2.364 0 Clean ref BECARM O=C([O-])[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]12 O=C(O)[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21 ZINC000004011521 52/22/70/182522270 MYWYIHKEXNJAGX-HOTUBEGUSA-N -1 233.242 BE 2.364 0 Clean ref BECARM O=C([O-])[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21 O=C(O)[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]12 ZINC000004011522 74/08/93/342740893 MYWYIHKEXNJAGX-KBVBSXBZSA-N -1 233.242 BE 2.364 0 Clean ref BECARM O=C([O-])[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]12 CC(C)(C)c1ccccc1OCC(=O)O ZINC000004206272 74/43/51/342744351 JGLOJHIYXGMZEW-UHFFFAOYSA-N -1 208.257 BE 2.447 0 Anodyne ref BEAARM CC(C)(C)c1ccccc1OCC(=O)[O-] CCCCOc1ccc(CN)cc1OC ZINC000004227543 74/49/44/342744944 KDBHTBKQLVCHLZ-UHFFFAOYSA-N 1 209.289 BE 2.333 0 Anodyne ref BEAARO CCCCOc1ccc(C[NH3+])cc1OC Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000004245371 74/52/81/342745281 OOOXUISFYMTSJI-UHFFFAOYSA-N 0 218.3 BE 2.285 0 Anodyne ref BEAARN Nc1ccc(C(=O)N2CCCCCC2)cc1 COc1cc(Cl)c(C=O)cc1OC ZINC000004702170 75/07/02/342750702 KTLBJNXLHDMIRZ-UHFFFAOYSA-N 0 200.621 BE 2.17 0 Anodyne ref BEAARN COc1cc(Cl)c(C=O)cc1OC CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)O1 ZINC000005722773 13/31/18/168133118 UZJOKNWPCVCPLB-WQLSENKSSA-N 0 230.267 BE 2.069 0 Clean ref BECARN CC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)O1 Nc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000007467996 79/15/21/342791521 DAXUGYVWKQUGTB-UHFFFAOYSA-N 0 226.279 BE 2.45 0 Anodyne ref BEAARN Nc1cccc(NC(=O)Cc2ccccc2)c1 CC1CCN(C(=O)c2cccc(N)c2)CC1 ZINC000007468608 17/59/64/168175964 BOTHVSLHODTKES-UHFFFAOYSA-N 0 218.3 BE 2.141 0 Anodyne ref BEAARN CC1CCN(C(=O)c2cccc(N)c2)CC1 Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000007468685 74/00/60/181740060 HYPNOUVIFRUUJZ-UHFFFAOYSA-N 0 218.3 BE 2.285 0 Anodyne ref BEAARN Nc1cccc(C(=O)N2CCCCCC2)c1 CCOC(=O)c1ccc(O)c(Br)c1 ZINC000008253056 29/69/93/170296993 CMXRBHNFKLKRFS-UHFFFAOYSA-N 0 245.072 BE 2.331 1 Anodyne mid BEAAMN CCOC(=O)c1ccc(O)c(Br)c1 CCOC(=O)c1ccc(O)c(Br)c1 ZINC000008253056 29/69/92/170296992 CMXRBHNFKLKRFS-UHFFFAOYSA-N -1 245.072 BE 2.331 0 Anodyne ref BEAARM CCOC(=O)c1ccc([O-])c(Br)c1 C[C@@H](C(=O)NCCc1ccccc1)n1cccc1 ZINC000008904909 80/57/76/342805776 RHHZUASBPNMYIN-ZDUSSCGKSA-N 0 242.322 BE 2.408 0 Anodyne ref BEAARN C[C@@H](C(=O)NCCc1ccccc1)n1cccc1 C[C@H](C(=O)NCCc1ccccc1)n1cccc1 ZINC000008904910 80/57/83/342805783 RHHZUASBPNMYIN-CYBMUJFWSA-N 0 242.322 BE 2.408 0 Anodyne ref BEAARN C[C@H](C(=O)NCCc1ccccc1)n1cccc1 c1ccc2c(c1)CN(C[C@@H]1CCCO1)C2 ZINC000009814743 26/53/82/384265382 XHJBJCLJNWCFQX-ZDUSSCGKSA-N 0 203.285 BE 2.181 1 Anodyne mid BEAAMN c1ccc2c(c1)CN(C[C@@H]1CCCO1)C2 c1ccc2c(c1)CN(C[C@@H]1CCCO1)C2 ZINC000009814743 26/53/72/384265372 XHJBJCLJNWCFQX-ZDUSSCGKSA-N 1 203.285 BE 2.181 0 Anodyne ref BEAARO c1ccc2c(c1)C[NH+](C[C@@H]1CCCO1)C2 c1ccc2c(c1)CN(C[C@H]1CCCO1)C2 ZINC000009814748 26/64/45/384266445 XHJBJCLJNWCFQX-CYBMUJFWSA-N 0 203.285 BE 2.181 1 Anodyne mid BEAAMN c1ccc2c(c1)CN(C[C@H]1CCCO1)C2 c1ccc2c(c1)CN(C[C@H]1CCCO1)C2 ZINC000009814748 26/64/37/384266437 XHJBJCLJNWCFQX-CYBMUJFWSA-N 1 203.285 BE 2.181 0 Anodyne ref BEAARO c1ccc2c(c1)C[NH+](C[C@H]1CCCO1)C2 Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000010011550 83/12/77/342831277 GKUCHYKDKUUYTR-UHFFFAOYSA-N 0 218.3 BE 2.331 0 Anodyne ref BEAARN Nc1cccc(C(=O)NC2CCCCC2)c1 COc1ccc2ccccc2c1CCN ZINC000011805770 22/60/57/175226057 IBGVDLDIASPYHY-UHFFFAOYSA-N 1 201.269 BE 2.35 0 Anodyne ref BEAARO COc1ccc2ccccc2c1CC[NH3+] COc1cc(/C=N/O)ccc1OC(C)C ZINC000011952621 84/48/14/342844814 ZWVPRUMWJACKFV-KPKJPENVSA-N -1 209.245 BE 2.29 3 Mild high BEEAHM COc1cc(/C=N/[O-])ccc1OC(C)C COc1cc(/C=N/O)ccc1OC(C)C ZINC000011952621 84/48/13/342844813 ZWVPRUMWJACKFV-KPKJPENVSA-N 0 209.245 BE 2.29 0 Mild ref BEEARN COc1cc(/C=N/O)ccc1OC(C)C O=C(O)c1ccccc1C(=O)N1CCCCCC1 ZINC000012137488 58/16/17/182581617 DYQGKIXLYNNGCT-UHFFFAOYSA-N -1 247.294 BE 2.401 0 Anodyne ref BEAARM O=C([O-])c1ccccc1C(=O)N1CCCCCC1 Nc1cccc(NC(=O)COc2ccccc2)c1 ZINC000012138163 74/60/16/181746016 DMAFRSDTNJKKFR-UHFFFAOYSA-N 0 242.278 BE 2.286 0 Anodyne ref BEAARN Nc1cccc(NC(=O)COc2ccccc2)c1 O=C(NC1CCCCCCC1)C1CCNCC1 ZINC000019410916 11/37/29/182113729 VQSHNTRSQZMDCT-UHFFFAOYSA-N 1 238.375 BE 2.215 0 Anodyne ref BEAARO O=C(NC1CCCCCCC1)C1CC[NH2+]CC1 CC(C)Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020156213 30/22/53/167302253 TZPVPJUHWLYGSL-UHFFFAOYSA-N 0 209.201 BE 2.194 0 Bother ref BEBARN CC(C)Oc1ccc([N+](=O)[O-])cc1C=O CCCCOc1ccc(OCC(=O)O)cc1 ZINC000033506409 25/54/71/343255471 CKROMSAARMUYAQ-UHFFFAOYSA-N -1 224.256 BE 2.329 0 Anodyne ref BEAARM CCCCOc1ccc(OCC(=O)[O-])cc1 CCOC(=O)[C@]1(C)O[C@@H]1c1ccccc1 ZINC000038325381 28/56/26/170285626 PTJLNEHAZVPEFQ-ZYHUDNBSSA-N 0 206.241 BE 2.08 0 Anodyne ref BEAARN CCOC(=O)[C@]1(C)O[C@@H]1c1ccccc1 CCOC(=O)[C@@]1(C)O[C@H]1c1ccccc1 ZINC000039207090 26/24/71/170262471 PTJLNEHAZVPEFQ-JQWIXIFHSA-N 0 206.241 BE 2.08 0 Mild ref BEEARN CCOC(=O)[C@@]1(C)O[C@H]1c1ccccc1 in-vitro CCOC(=O)[C@]1(C)O[C@H]1c1ccccc1 ZINC000039207091 28/61/42/170286142 PTJLNEHAZVPEFQ-CMPLNLGQSA-N 0 206.241 BE 2.08 0 Mild ref BEEARN CCOC(=O)[C@]1(C)O[C@H]1c1ccccc1 in-vitro CCOC(=O)[C@@]1(C)O[C@@H]1c1ccccc1 ZINC000039207092 26/23/10/170262310 PTJLNEHAZVPEFQ-PWSUYJOCSA-N 0 206.241 BE 2.08 0 Mild ref BEEARN CCOC(=O)[C@@]1(C)O[C@@H]1c1ccccc1 in-vitro CCc1nc(C)ccc1OC(=O)N(C)C ZINC000066323394 86/51/22/343865122 UDIURTQGMAYNCV-UHFFFAOYSA-N 0 208.261 BE 2.013 0 Anodyne ref BEAARN CCc1nc(C)ccc1OC(=O)N(C)C CCOc1ccc2nc(C(=O)O)sc2c1 ZINC000075397963 12/46/75/491124675 RVVPHWORZKOUDL-UHFFFAOYSA-N -1 223.253 BE 2.393 0 Anodyne ref BEAARM CCOc1ccc2nc(C(=O)[O-])sc2c1 CCCOc1c(/C=N/O)cccc1OC ZINC000100011032 31/31/62/169313162 QQUVUUIKEFIANU-XYOKQWHBSA-N -1 209.245 BE 2.292 1 Mild mid BEEAMM CCCOc1c(/C=N/[O-])cccc1OC CCCOc1c(/C=N/O)cccc1OC ZINC000100011032 31/31/60/169313160 QQUVUUIKEFIANU-XYOKQWHBSA-N 0 209.245 BE 2.292 0 Mild ref BEEARN CCCOc1c(/C=N/O)cccc1OC