O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1 ZINC000000002070 66/94/45/342669445 LXANPKRCLVQAOG-NSHDSACASA-N -1 236.202 BC 0.643 3 Anodyne high BCAAHM O=C1[N-]C(=O)[C@@]2(CCOc3ccc(F)cc32)N1 investigational O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1 ZINC000000002070 66/94/43/342669443 LXANPKRCLVQAOG-NSHDSACASA-N 0 236.202 BC 0.643 0 Anodyne ref BCAARN O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1 investigational NC(=O)CNC(=O)OCc1ccccc1 ZINC000000024096 23/41/79/181234179 HQYMUNCIMNFLDT-UHFFFAOYSA-N 0 208.217 BC 0.398 0 Anodyne ref BCAARN NC(=O)CNC(=O)OCc1ccccc1 N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O ZINC000000043864 06/03/24/344060324 GTVVZTAFGPQSPC-QMMMGPOBSA-N 0 210.189 BC 0.549 0 Bother ref BCBARN [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] in-vitro biogenic N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O ZINC000000043865 06/07/70/344060770 GTVVZTAFGPQSPC-MRVPVSSYSA-N 0 210.189 BC 0.549 0 Bother ref BCBARN [NH3+][C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] in-vitro biogenic NC(=O)c1c(F)c(F)c(N)c(F)c1F ZINC000000056391 28/60/74/181286074 CAERPAFTLPIDJT-UHFFFAOYSA-N 0 208.114 BC 0.924 0 Anodyne ref BCAARN NC(=O)c1c(F)c(F)c(N)c(F)c1F COC(=O)c1cc(N)cc(C(=O)OC)c1 ZINC000000057151 82/18/20/383821820 DEKPYXUDJRABNK-UHFFFAOYSA-N 0 209.201 BC 0.842 0 Anodyne ref BCAARN COC(=O)c1cc(N)cc(C(=O)OC)c1 NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000000057505 26/53/68/181265368 JLSKPBDKNIXMBS-VIFPVBQESA-N 0 203.245 BC 0.523 1 Anodyne mid BCAAMN NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 in-man endogenous NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000000057505 26/53/65/181265365 JLSKPBDKNIXMBS-VIFPVBQESA-N 1 203.245 BC 0.523 0 Anodyne ref BCAARO NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 in-man endogenous CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)O ZINC000000057566 65/64/06/166656406 BENKAPCDIOILGV-RQJHMYQMSA-N -1 231.248 BC 0.441 0 Anodyne ref BCAARM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] O=C(O)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000000057799 82/21/04/383822104 VZBNZFYHLQRFPS-UHFFFAOYSA-N -2 236.179 BC 0.831 1 Clean mid BCCAML O=C([O-])Cc1cc(=O)oc2cc([O-])c(O)cc12 in-vitro O=C(O)Cc1cc(=O)oc2cc(O)c(O)cc12 ZINC000000057799 82/20/98/383822098 VZBNZFYHLQRFPS-UHFFFAOYSA-N -1 236.179 BC 0.831 0 Clean ref BCCARM O=C([O-])Cc1cc(=O)oc2cc(O)c(O)cc12 in-vitro O=C(O)CN1C(=O)c2ccccc2C1=O ZINC000000064576 82/10/99/383821099 WQINSVOOIJDOLJ-UHFFFAOYSA-N -1 205.169 BC 0.367 0 Anodyne ref BCAARM O=C([O-])CN1C(=O)c2ccccc2C1=O in-vitro COC(=O)[C@H](Cc1ccccc1)NC(C)=O ZINC000000087571 07/62/83/358076283 IKGHIFGXPVLPFD-NSHDSACASA-N 0 221.256 BC 0.907 0 Anodyne ref BCAARN COC(=O)[C@H](Cc1ccccc1)NC(C)=O N[C@@H](Cc1cc(F)ccc1F)C(=O)O ZINC000000113745 55/33/37/181553337 YHYQITHAFYELNW-QMMMGPOBSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@@H](Cc1cc(F)ccc1F)C(=O)[O-] N[C@H](Cc1cc(F)ccc1F)C(=O)O ZINC000000113749 67/49/49/342674949 YHYQITHAFYELNW-MRVPVSSYSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@H](Cc1cc(F)ccc1F)C(=O)[O-] N[C@@H](Cc1ccc(F)c(F)c1)C(=O)O ZINC000000113751 67/50/81/342675081 PRAWYXDDKCVZTL-QMMMGPOBSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@@H](Cc1ccc(F)c(F)c1)C(=O)[O-] in-vitro N[C@H](Cc1ccc(F)c(F)c1)C(=O)O ZINC000000113755 67/50/70/342675070 PRAWYXDDKCVZTL-MRVPVSSYSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@H](Cc1ccc(F)c(F)c1)C(=O)[O-] N[C@@H](Cc1c(F)cccc1F)C(=O)O ZINC000000113765 67/51/45/342675145 RFOVYDPRGDZBLJ-QMMMGPOBSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@@H](Cc1c(F)cccc1F)C(=O)[O-] N[C@H](Cc1c(F)cccc1F)C(=O)O ZINC000000113769 62/37/91/181623791 RFOVYDPRGDZBLJ-MRVPVSSYSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@H](Cc1c(F)cccc1F)C(=O)[O-] N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O ZINC000000113771 67/50/95/342675095 QFGMPXZFCIHYIR-QMMMGPOBSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)[O-] in-vitro N[C@H](Cc1cc(F)cc(F)c1)C(=O)O ZINC000000113775 67/49/70/342674970 QFGMPXZFCIHYIR-MRVPVSSYSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@H](Cc1cc(F)cc(F)c1)C(=O)[O-] C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O ZINC000000122247 67/56/92/342675692 OZWUITKBAWTEAQ-LURJTMIESA-N -1 219.196 BC 0.756 0 Anodyne ref BCAARM C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O in-vitro COC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC000000122437 04/70/51/363047051 KRMVXLWZDYZILN-NSHDSACASA-N 0 237.255 BC 0.612 0 Anodyne ref BCAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O COC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O ZINC000000122441 70/30/20/173703020 KRMVXLWZDYZILN-LLVKDONJSA-N 0 237.255 BC 0.612 0 Anodyne ref BCAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O CC(=O)N[C@@H](Cc1ccccc1)C(=O)O ZINC000000135391 83/22/68/383832268 CBQJSKKFNMDLON-JTQLQIEISA-N -1 207.229 BC 0.818 0 Anodyne ref BCAARM CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] world endogenous CC(=O)N[C@H](Cc1ccccc1)C(=O)O ZINC000000135392 09/91/16/188099116 CBQJSKKFNMDLON-SNVBAGLBSA-N -1 207.229 BC 0.818 0 Anodyne ref BCAARM CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] in-man endogenous O=C(O)CNC(=O)OCc1ccccc1 ZINC000000154477 83/55/16/383835516 CJUMAFVKTCBCJK-UHFFFAOYSA-N -1 209.201 BC 0.997 0 Anodyne ref BCAARM O=C([O-])CNC(=O)OCc1ccccc1 in-vitro CC(=O)N[C@@H](Cc1ccccc1F)C(=O)O ZINC000000154531 24/42/91/187244291 ZKZPFAQDTBSPJH-JTQLQIEISA-N -1 225.219 BC 0.957 0 Anodyne ref BCAARM CC(=O)N[C@@H](Cc1ccccc1F)C(=O)[O-] CC(=O)N[C@H](Cc1ccccc1F)C(=O)O ZINC000000154532 24/46/20/187244620 ZKZPFAQDTBSPJH-SNVBAGLBSA-N -1 225.219 BC 0.957 0 Anodyne ref BCAARM CC(=O)N[C@H](Cc1ccccc1F)C(=O)[O-] CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O ZINC000000154533 09/86/74/188098674 LKXNJLVPYPXTDY-JTQLQIEISA-N -1 225.219 BC 0.957 0 Anodyne ref BCAARM CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)[O-] CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)O ZINC000000154535 83/57/03/383835703 LKXNJLVPYPXTDY-SNVBAGLBSA-N -1 225.219 BC 0.957 0 Anodyne ref BCAARM CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)[O-] CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O ZINC000000154536 92/49/39/187924939 NRLBRFQYMSTLJK-JTQLQIEISA-N -1 225.219 BC 0.957 0 Anodyne ref BCAARM CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)O ZINC000000154537 45/21/39/188452139 NRLBRFQYMSTLJK-SNVBAGLBSA-N -1 225.219 BC 0.957 0 Anodyne ref BCAARM CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O ZINC000000156040 67/77/12/342677712 KHOWDUMYRBCHAC-SCZZXKLOSA-N 0 237.255 BC 0.339 0 Anodyne ref BCAARN COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O COC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)O ZINC000000156042 83/64/87/383836487 KHOWDUMYRBCHAC-PSASIEDQSA-N 0 237.255 BC 0.339 0 Anodyne ref BCAARN COC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)O CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O ZINC000000156395 40/74/87/187407487 CAHKINHBCWCHCF-JTQLQIEISA-N -1 223.228 BC 0.524 0 Anodyne ref BCAARM CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] in-man endogenous O=C(O)COc1ccc(OCC(=O)O)cc1 ZINC000000156671 83/53/74/383835374 DNXOCFKTVLHUMU-UHFFFAOYSA-N -2 226.184 BC 0.613 0 Anodyne ref BCAARL O=C([O-])COc1ccc(OCC(=O)[O-])cc1 N[C@@H](CC(=O)OCc1ccccc1)C(=O)O ZINC000000156682 91/38/71/345913871 VGALFAWDSNRXJK-VIFPVBQESA-N -1 223.228 BC 0.532 3 Anodyne high BCAAHM N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] in-vitro biogenic N[C@@H](CC(=O)OCc1ccccc1)C(=O)O ZINC000000156682 91/38/64/345913864 VGALFAWDSNRXJK-VIFPVBQESA-N 0 223.228 BC 0.532 0 Anodyne ref BCAARN [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] in-vitro biogenic NC(=O)c1cc(O)c(Br)c(O)c1 ZINC000000157221 29/12/81/181291281 GCNIEGHLVCGBRA-UHFFFAOYSA-N -2 232.033 BC 0.959 3 Anodyne high BCAAHL NC(=O)c1cc([O-])c(Br)c([O-])c1 NC(=O)c1cc(O)c(Br)c(O)c1 ZINC000000157221 29/12/77/181291277 GCNIEGHLVCGBRA-UHFFFAOYSA-N -1 232.033 BC 0.959 1 Anodyne mid BCAAMM NC(=O)c1cc([O-])c(Br)c(O)c1 NC(=O)c1cc(O)c(Br)c(O)c1 ZINC000000157221 29/12/75/181291275 GCNIEGHLVCGBRA-UHFFFAOYSA-N 0 232.033 BC 0.959 0 Anodyne ref BCAARN NC(=O)c1cc(O)c(Br)c(O)c1 C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O ZINC000000167600 83/95/99/383839599 JOYNOYIEQOCUEJ-LURJTMIESA-N -1 247.247 BC 0.577 0 Anodyne ref BCAARM C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O ZINC000000236276 97/46/73/182974673 RYMLSFWVYNAKAR-UHFFFAOYSA-N 0 207.145 BC 0.125 0 Bother ref BCBARN O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O in-vivo CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000000305336 49/97/61/346499761 HNGIZKAMDMBRKJ-LBPRGKRZSA-N 0 245.282 BC 0.7 0 Anodyne ref BCAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O in-vitro biogenic CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O ZINC000000396118 41/10/26/574411026 CAHKINHBCWCHCF-SNVBAGLBSA-N -1 223.228 BC 0.524 0 Anodyne ref BCAARM CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] in-vitro endogenous COc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1 ZINC000000399350 11/71/30/175117130 HRUASHPCEMXOMR-NSHDSACASA-N -1 237.255 BC 0.827 0 Anodyne ref BCAARM COc1ccc(C[C@H](NC(C)=O)C(=O)[O-])cc1 in-vitro biogenic C[C@H](NC(=O)OCc1ccccc1)C(N)=O ZINC000000399532 86/45/05/383864505 CTZZSWNVVFTJRN-QMMMGPOBSA-N 0 222.244 BC 0.787 0 Anodyne ref BCAARN C[C@H](NC(=O)OCc1ccccc1)C(N)=O C[C@@H](NC(=O)OCc1ccccc1)C(N)=O ZINC000000399533 84/12/61/175841261 CTZZSWNVVFTJRN-MRVPVSSYSA-N 0 222.244 BC 0.787 0 Anodyne ref BCAARN C[C@@H](NC(=O)OCc1ccccc1)C(N)=O N[C@H](CC(=O)OCc1ccccc1)C(=O)O ZINC000000402733 68/67/02/342686702 VGALFAWDSNRXJK-SECBINFHSA-N -1 223.228 BC 0.532 3 Anodyne high BCAAHM N[C@H](CC(=O)OCc1ccccc1)C(=O)[O-] N[C@H](CC(=O)OCc1ccccc1)C(=O)O ZINC000000402733 68/67/01/342686701 VGALFAWDSNRXJK-SECBINFHSA-N 0 223.228 BC 0.532 0 Anodyne ref BCAARN [NH3+][C@H](CC(=O)OCc1ccccc1)C(=O)[O-] N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O ZINC000000895330 69/44/31/342694431 LDCYZAJDBXYCGN-VIFPVBQESA-N 0 220.228 BC 0.828 0 Anodyne ref BCAARN [NH3+][C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] world endogenous NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001031283 69/62/39/342696239 QWKKYJLAUWFPDB-UHFFFAOYSA-N 0 202.191 BC 0.242 0 Bother ref BCBARN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 in-vivo CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O ZINC000001532219 70/24/45/342702445 LCPYQJIKPJDLLB-UWVGGRQHSA-N -1 244.335 BC 0.975 3 Anodyne high BCAAHM CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)[O-] in-man endogenous CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O ZINC000001532219 70/24/41/342702441 LCPYQJIKPJDLLB-UWVGGRQHSA-N 0 244.335 BC 0.975 0 Anodyne ref BCAARN CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-] in-man endogenous CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)O ZINC000001532220 70/24/90/342702490 LCPYQJIKPJDLLB-ZJUUUORDSA-N -1 244.335 BC 0.975 3 Anodyne high BCAAHM CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)[O-] in-man endogenous CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)O ZINC000001532220 70/24/89/342702489 LCPYQJIKPJDLLB-ZJUUUORDSA-N 0 244.335 BC 0.975 0 Anodyne ref BCAARN CC(C)C[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C(=O)[O-] in-man endogenous CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O ZINC000001532221 70/24/92/342702492 LCPYQJIKPJDLLB-VHSXEESVSA-N -1 244.335 BC 0.975 3 Anodyne high BCAAHM CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)[O-] in-man endogenous CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O ZINC000001532221 70/24/91/342702491 LCPYQJIKPJDLLB-VHSXEESVSA-N 0 244.335 BC 0.975 0 Anodyne ref BCAARN CC(C)C[C@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)[O-] in-man endogenous CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O ZINC000001532222 27/44/12/188274412 LCPYQJIKPJDLLB-NXEZZACHSA-N -1 244.335 BC 0.975 3 Anodyne high BCAAHM CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)[O-] in-man endogenous CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O ZINC000001532222 27/44/10/188274410 LCPYQJIKPJDLLB-NXEZZACHSA-N 0 244.335 BC 0.975 0 Anodyne ref BCAARN CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)[O-] in-man endogenous NC(=O)CCNC(=O)OCc1ccccc1 ZINC000001565644 22/43/72/181224372 JSVDOBZAAAJMBU-UHFFFAOYSA-N 0 222.244 BC 0.788 0 Anodyne ref BCAARN NC(=O)CCNC(=O)OCc1ccccc1 C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O ZINC000001575524 75/13/52/176751352 OMNVYXHOSHNURL-WPRPVWTQSA-N -1 236.271 BC 0.146 3 Anodyne high BCAAHM C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] in-man endogenous C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O ZINC000001575524 75/13/50/176751350 OMNVYXHOSHNURL-WPRPVWTQSA-N 0 236.271 BC 0.146 0 Anodyne ref BCAARN C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] in-man endogenous C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O ZINC000001575526 70/36/92/342703692 OMNVYXHOSHNURL-WCBMZHEXSA-N -1 236.271 BC 0.146 3 Anodyne high BCAAHM C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] in-man endogenous C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O ZINC000001575526 70/36/91/342703691 OMNVYXHOSHNURL-WCBMZHEXSA-N 0 236.271 BC 0.146 0 Anodyne ref BCAARN C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] in-man endogenous C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000001576239 01/41/97/177014197 LLHOYOCAAURYRL-WDSKDSINSA-N -1 219.237 BC 0.345 0 Anodyne ref BCAARM C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000001576240 99/56/24/175995624 LLHOYOCAAURYRL-RITPCOANSA-N -1 219.237 BC 0.345 0 Anodyne ref BCAARM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000001576241 00/71/25/177007125 LLHOYOCAAURYRL-NTSWFWBYSA-N -1 219.237 BC 0.345 0 Anodyne ref BCAARM C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000001576242 99/32/18/175993218 LLHOYOCAAURYRL-PHDIDXHHSA-N -1 219.237 BC 0.345 0 Anodyne ref BCAARM C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)O ZINC000001576247 70/37/95/342703795 AQTUACKQXJNHFQ-LURJTMIESA-N -2 247.247 BC 0.829 0 Anodyne ref BCAARL CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)O ZINC000001576318 70/37/37/342703737 VVNYDCGZZSTUBC-LURJTMIESA-N -1 246.263 BC 0.23 0 Anodyne ref BCAARM CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)[O-] in-vitro CC[C@@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)O ZINC000001589383 70/45/88/342704588 AZLASBBHHSLQDB-UTLUCORTSA-N -1 244.335 BC 0.975 3 Anodyne high BCABHM CC[C@@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)[O-] in-vitro endogenous CC[C@@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)O ZINC000001589383 70/45/86/342704586 AZLASBBHHSLQDB-UTLUCORTSA-N 0 244.335 BC 0.975 0 Anodyne ref BCABRN CC[C@@H](C)[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)[O-] in-vitro endogenous CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C ZINC000001605717 91/14/71/383911471 MDSUKZSLOATHMH-IUCAKERBSA-N -1 230.308 BC 0.585 3 Anodyne high BCAAHM CC(C)C[C@H](N)C(=O)N[C@H](C(=O)[O-])C(C)C in-man endogenous CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C ZINC000001605717 91/14/66/383911466 MDSUKZSLOATHMH-IUCAKERBSA-N 0 230.308 BC 0.585 0 Anodyne ref BCAARN CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])C(C)C in-man endogenous C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O ZINC000001605731 91/21/99/383912199 MIDZLCFIAINOQN-WPRPVWTQSA-N -1 236.271 BC 0.146 3 Anodyne high BCAAHM C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-] in-man endogenous C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O ZINC000001605731 91/21/90/383912190 MIDZLCFIAINOQN-WPRPVWTQSA-N 0 236.271 BC 0.146 0 Anodyne ref BCAARN C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] in-man endogenous COC(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC000001637062 70/65/53/342706553 SANNKFASHWONFD-ZCFIWIBFSA-N 0 219.237 BC 0.045 0 Anodyne ref BCAARN COC(=O)[C@@H](CO)NC(=O)OC(C)(C)C in-vitro CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)O ZINC000001640080 70/67/16/342706716 GLZZMUULAVZVTA-ZETCQYMHSA-N 0 232.28 BC 0.703 0 Anodyne ref BCAARN CC(C)(C)OC(=O)NCCC[C@H]([NH3+])C(=O)[O-] NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001690424 29/20/36/181292036 UUKWKUSGGZNXGA-UHFFFAOYSA-N 0 211.133 BC 0.602 0 Bother ref BCBARN NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 in-man N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O ZINC000001700281 54/28/31/181542831 BGGHCRNCRWQABU-JTQLQIEISA-N 0 237.255 BC 0.922 0 Anodyne ref BCAARN [NH3+][C@@H](CCC(=O)OCc1ccccc1)C(=O)[O-] N[C@H](CCC(=O)OCc1ccccc1)C(=O)O ZINC000001707767 61/43/21/181614321 BGGHCRNCRWQABU-SNVBAGLBSA-N 0 237.255 BC 0.922 0 Anodyne ref BCAARN [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)[O-] N[C@@H](CC(=O)O)C(=O)OCc1ccccc1 ZINC000001709637 71/03/72/342710372 NJSRYBIBUXBNSW-VIFPVBQESA-N -1 223.228 BC 0.532 1 Anodyne mid BCAAMM N[C@@H](CC(=O)[O-])C(=O)OCc1ccccc1 N[C@@H](CC(=O)O)C(=O)OCc1ccccc1 ZINC000001709637 71/03/71/342710371 NJSRYBIBUXBNSW-VIFPVBQESA-N 0 223.228 BC 0.532 0 Anodyne ref BCAARN [NH3+][C@@H](CC(=O)[O-])C(=O)OCc1ccccc1 O=S(=O)(O)CCNC1CCCCC1 ZINC000001710230 71/04/29/342710429 MKWKNSIESPFAQN-UHFFFAOYSA-N 0 207.295 BC 0.796 0 Anodyne ref BCAARN O=S(=O)([O-])CC[NH2+]C1CCCCC1 in-vivo CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O ZINC000001731780 71/15/52/342711552 KAJBMCZQVSQJDE-YFKPBYRVSA-N -2 233.22 BC 0.439 0 Anodyne ref BCAARL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] N[C@H](CC(=O)O)C(=O)OCc1ccccc1 ZINC000001731793 71/16/89/342711689 NJSRYBIBUXBNSW-SECBINFHSA-N -1 223.228 BC 0.532 1 Anodyne mid BCAAMM N[C@H](CC(=O)[O-])C(=O)OCc1ccccc1 N[C@H](CC(=O)O)C(=O)OCc1ccccc1 ZINC000001731793 71/16/87/342711687 NJSRYBIBUXBNSW-SECBINFHSA-N 0 223.228 BC 0.532 0 Anodyne ref BCAARN [NH3+][C@H](CC(=O)[O-])C(=O)OCc1ccccc1 O=C(O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 ZINC000002004507 67/95/09/359679509 GBSWIDSKAJFWMF-UHFFFAOYSA-N -2 228.116 BC 0.907 0 Bother ref BCBARL O=C([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 O=S(=O)(O)C[C@@H](O)CNC1CCCCC1 ZINC000002168583 71/65/01/342716501 INEWUCPYEUEQTN-VIFPVBQESA-N 0 237.321 BC 0.157 0 Anodyne ref BCAARN O=S(=O)([O-])C[C@@H](O)C[NH2+]C1CCCCC1 in-vitro O=S(=O)(O)C[C@H](O)CNC1CCCCC1 ZINC000002168584 90/25/57/182902557 INEWUCPYEUEQTN-SECBINFHSA-N 0 237.321 BC 0.157 0 Anodyne ref BCAARN O=S(=O)([O-])C[C@H](O)C[NH2+]C1CCCCC1 in-vitro N[C@@H](Cc1ccc(F)cc1F)C(=O)O ZINC000002169778 71/64/47/342716447 UEFLPVKMPDEMFW-QMMMGPOBSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@@H](Cc1ccc(F)cc1F)C(=O)[O-] N[C@H](Cc1ccc(F)cc1F)C(=O)O ZINC000002169779 71/65/35/342716535 UEFLPVKMPDEMFW-MRVPVSSYSA-N 0 201.172 BC 0.919 0 Anodyne ref BCAARN [NH3+][C@H](Cc1ccc(F)cc1F)C(=O)[O-] N=C(N)N/C(N)=N\c1cccc(Cl)c1F ZINC000002243312 18/85/28/181188528 FEIQWXUHDJVXRB-UHFFFAOYSA-N 2 229.646 BC 0.908 1 Mild mid BCEAMP NC(=[NH2+])NC(=[NH2+])Nc1cccc(Cl)c1F N=C(N)N/C(N)=N\c1cccc(Cl)c1F ZINC000002243312 18/85/26/181188526 FEIQWXUHDJVXRB-UHFFFAOYSA-N 1 229.646 BC 0.908 0 Mild ref BCEARO N=C(NC(N)=[NH2+])Nc1cccc(Cl)c1F N=C(N)N/C(N)=N\c1cc(F)cc(F)c1 ZINC000002243313 18/80/27/181188027 AMGKKUWXIHUMII-UHFFFAOYSA-N 1 213.191 BC 0.394 1 Mild mid BCEAMO N=C(NC(N)=[NH2+])Nc1cc(F)cc(F)c1 N=C(N)N/C(N)=N\c1cc(F)cc(F)c1 ZINC000002243313 18/80/26/181188026 AMGKKUWXIHUMII-UHFFFAOYSA-N 2 213.191 BC 0.394 0 Mild ref BCEARP NC(=[NH2+])NC(=[NH2+])Nc1cc(F)cc(F)c1 NS(=O)(=O)c1ccc(F)c2nonc12 ZINC000002384659 71/95/03/342719503 XROXHZMRDABMHS-UHFFFAOYSA-N 0 217.181 BC 0.009 0 Anodyne ref BCAARN NS(=O)(=O)c1ccc(F)c2nonc12 in-vitro