CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 ZINC000000001875 69/63/94/288696394 KYGZCKSPAKDVKC-UHFFFAOYSA-N -1 261.233 CD 1.448 0 Anodyne ref CDAARM CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3 investigational biogenic CN(C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12 ZINC000000005298 87/96/14/355879614 ULSDMUVEXKOYBU-CYBMUJFWSA-N 1 287.363 CD 1.923 0 Anodyne ref CDAARO C[NH+](C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12 world CC(=O)SCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)O ZINC000000006582 22/28/79/278222879 JHFOAISYWJRTIM-PSASIEDQSA-N -1 273.354 CD 1.51 0 Anodyne ref CDAARM CC(=O)SCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] in-vitro CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 ZINC000000015515 87/96/09/355879609 ULSDMUVEXKOYBU-ZDUSSCGKSA-N 1 287.363 CD 1.923 0 Anodyne ref CDAARO C[NH+](C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 fda COc1ccc(Cc2cnc(N)nc2N)cc1OC ZINC000000024946 87/93/55/355879355 LDBTVAXGKYIFHO-UHFFFAOYSA-N 1 260.297 CD 1.249 1 Anodyne mid CDAAMO COc1ccc(Cc2c[nH+]c(N)nc2N)cc1OC in-man COc1ccc(Cc2cnc(N)nc2N)cc1OC ZINC000000024946 87/93/52/355879352 LDBTVAXGKYIFHO-UHFFFAOYSA-N 0 260.297 CD 1.249 0 Anodyne ref CDAARN COc1ccc(Cc2cnc(N)nc2N)cc1OC in-man NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000000031319 88/02/11/355880211 CTFUCNXKRYTIQE-UHFFFAOYSA-N 0 251.263 CD 1.407 0 Anodyne ref CDAARN NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1 Nc1ccc(I)cc1C(=O)O ZINC000000032335 88/03/47/355880347 GOLGILSVWFKZRQ-UHFFFAOYSA-N -1 263.034 CD 1.572 0 Anodyne ref CDAARM Nc1ccc(I)cc1C(=O)[O-] COc1c2c(nc3ccccc13)O[C@@H]([C@](C)(O)CO)C2 ZINC000000035528 90/30/54/359903054 NETGEQWGGLFVRL-IUODEOHRSA-N 0 275.304 CD 1.29 0 Anodyne ref CDAARN COc1c2c(nc3ccccc13)O[C@@H]([C@](C)(O)CO)C2 in-vitro COc1c2c(nc3ccccc13)O[C@@H]([C@@](C)(O)CO)C2 ZINC000000035529 88/05/00/355880500 NETGEQWGGLFVRL-DOMZBBRYSA-N 0 275.304 CD 1.29 0 Anodyne ref CDAARN COc1c2c(nc3ccccc13)O[C@@H]([C@@](C)(O)CO)C2 in-vitro biogenic COc1c2c(nc3ccccc13)O[C@H]([C@](C)(O)CO)C2 ZINC000000035530 88/06/40/355880640 NETGEQWGGLFVRL-SWLSCSKDSA-N 0 275.304 CD 1.29 0 Anodyne ref CDAARN COc1c2c(nc3ccccc13)O[C@H]([C@](C)(O)CO)C2 in-vitro COc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2 ZINC000000035531 90/26/94/359902694 NETGEQWGGLFVRL-WFASDCNBSA-N 0 275.304 CD 1.29 0 Anodyne ref CDAARN COc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2 in-vitro COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2 ZINC000000039435 88/12/35/355881235 ASUTZQLVASHGKV-IFIJOSMWSA-N 0 287.359 CD 1.85 3 Anodyne high CDAAHN COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2 in-vitro biogenic COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2 ZINC000000039435 88/12/31/355881231 ASUTZQLVASHGKV-IFIJOSMWSA-N 1 287.359 CD 1.85 1 Anodyne mid CDAAMO COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CC[N@H+](C)C2 in-vitro biogenic COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2 ZINC000000039435 88/12/25/355881225 ASUTZQLVASHGKV-IFIJOSMWSA-N 0 287.359 CD 1.85 0 Anodyne ref CDAARN COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CC[N@@H+](C)C2 in-vitro biogenic O=C(O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000046871 51/71/84/134517184 JCLJIIGKSJEXHQ-UHFFFAOYSA-N -1 280.299 CD 1.339 0 Anodyne ref CDAARM O=C([O-])CCC(=O)N1CCN(c2ccc(F)cc2)CC1 O=C(O)[C@@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000053471 88/23/58/355882358 XFGXAJCIOOXIGL-XVKPBYJWSA-N 0 253.279 CD 1.203 2 Anodyne low CDAALN O=C([O-])[C@@H]1CS[C@@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000053471 88/23/55/355882355 XFGXAJCIOOXIGL-XVKPBYJWSA-N -1 253.279 CD 1.203 0 Anodyne ref CDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 O=C(O)[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000053472 88/22/80/355882280 XFGXAJCIOOXIGL-OIBJUYFYSA-N 0 253.279 CD 1.203 2 Anodyne low CDAALN O=C([O-])[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)[NH2+]1 O=C(O)[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000053472 88/22/77/355882277 XFGXAJCIOOXIGL-OIBJUYFYSA-N -1 253.279 CD 1.203 0 Anodyne ref CDAARM O=C([O-])[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 COC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] ZINC000000056612 03/77/21/358037721 HCEIEWYPDCDNNU-UHFFFAOYSA-N 0 271.225 CD 1.407 0 Bother ref CDBARN COC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 ZINC000000057501 88/21/74/355882174 QPPBRPIAZZHUNT-UHFFFAOYSA-N 0 264.31 CD 1.168 1 Anodyne mid CDAAMN Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 world Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 ZINC000000057501 88/21/73/355882173 QPPBRPIAZZHUNT-UHFFFAOYSA-N -1 264.31 CD 1.168 0 Anodyne ref CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1 world CC1(C)CC(=O)c2ccc(OCC(=O)O)cc2O1 ZINC000000084867 88/52/72/355885272 JOJCMTSSOUZRSI-UHFFFAOYSA-N -1 250.25 CD 1.894 0 Anodyne ref CDAARM CC1(C)CC(=O)c2ccc(OCC(=O)[O-])cc2O1 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 ZINC000000089763 36/36/56/301363656 JLKIGFTWXXRPMT-UHFFFAOYSA-N 0 253.283 CD 1.366 2 Anodyne low CDAALN Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 fda Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 ZINC000000089763 36/36/49/301363649 JLKIGFTWXXRPMT-UHFFFAOYSA-N -1 253.283 CD 1.366 0 Anodyne ref CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1 fda O=C(O)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000000091169 88/61/21/355886121 QJBGCXNTFZBQJR-ZDUSSCGKSA-N -1 291.328 CD 1.791 0 Anodyne ref CDAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 O=C1C=CC(=O)N1c1ccc(Br)cc1 ZINC000000097319 24/76/19/280247619 FECSFBYOMHWJQG-UHFFFAOYSA-N 0 252.067 CD 1.878 0 Anodyne ref CDAARN O=C1C=CC(=O)N1c1ccc(Br)cc1 COc1cc(N2C(=O)C=CC2=O)cc(OC)c1OC ZINC000000097526 88/60/28/355886028 AWGJOMPQVIXUST-UHFFFAOYSA-N 0 263.249 CD 1.142 0 Anodyne ref CDAARN COc1cc(N2C(=O)C=CC2=O)cc(OC)c1OC CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O ZINC000000097643 88/57/82/355885782 AGDVYAPPQUVBHB-JTQLQIEISA-N -1 257.311 CD 1.074 0 Anodyne ref CDAARM CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] O=C1C=CC(=O)N1c1ccccc1Br ZINC000000098654 31/40/74/296314074 ZTHZEDRPKCLGAR-UHFFFAOYSA-N 0 252.067 CD 1.878 0 Anodyne ref CDAARN O=C1C=CC(=O)N1c1ccccc1Br COc1cc(OC)cc([C@H]2N[C@H](C(=O)O)CS2)c1 ZINC000000102456 88/70/55/355887055 LDAFEDIBZPMXFT-QWRGUYRKSA-N 0 269.322 CD 1.492 2 Anodyne low CDAALN COc1cc(OC)cc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)c1 COc1cc(OC)cc([C@H]2N[C@H](C(=O)O)CS2)c1 ZINC000000102456 88/70/50/355887050 LDAFEDIBZPMXFT-QWRGUYRKSA-N -1 269.322 CD 1.492 0 Anodyne ref CDAARM COc1cc(OC)cc([C@H]2N[C@H](C(=O)[O-])CS2)c1 COc1cc(OC)cc([C@@H]2N[C@H](C(=O)O)CS2)c1 ZINC000000102458 88/71/01/355887101 LDAFEDIBZPMXFT-WDEREUQCSA-N 0 269.322 CD 1.492 2 Anodyne low CDAALN COc1cc(OC)cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)c1 COc1cc(OC)cc([C@@H]2N[C@H](C(=O)O)CS2)c1 ZINC000000102458 88/70/95/355887095 LDAFEDIBZPMXFT-WDEREUQCSA-N -1 269.322 CD 1.492 0 Anodyne ref CDAARM COc1cc(OC)cc([C@@H]2N[C@H](C(=O)[O-])CS2)c1 COc1cc(-c2nnc(N)s2)cc(OC)c1OC ZINC000000103571 88/72/07/355887207 DJSKNOBOTVECTH-UHFFFAOYSA-N 0 267.31 CD 1.813 0 Anodyne ref CDAARN COc1cc(-c2nnc(N)s2)cc(OC)c1OC CC(=O)N[C@@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1 ZINC000000112630 09/92/78/359099278 IGXJPNSMMOYCOC-JTQLQIEISA-N -1 252.226 CD 1.247 0 Bother ref CDBARM CC(=O)N[C@@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 CC(=O)N[C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1 ZINC000000112632 09/88/41/359098841 IGXJPNSMMOYCOC-SNVBAGLBSA-N -1 252.226 CD 1.247 0 Bother ref CDBARM CC(=O)N[C@H](CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O ZINC000000114302 32/98/81/299329881 SGHZTBDKKOKWDI-LURJTMIESA-N -1 263.702 CD 1.091 0 Anodyne ref CDAARM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] COC(=O)c1sc(NC(=O)CCC(=O)O)nc1C ZINC000000114344 54/07/72/169540772 HFHFIPPEYFLESS-UHFFFAOYSA-N -1 272.282 CD 1.041 0 Anodyne ref CDAARM COC(=O)c1sc(NC(=O)CCC(=O)[O-])nc1C COc1cc(C=O)cc(I)c1O ZINC000000117579 97/50/10/294975010 FBBCSYADXYILEH-UHFFFAOYSA-N 0 278.045 CD 1.818 2 Anodyne low CDAALN COc1cc(C=O)cc(I)c1O in-vitro biogenic COc1cc(C=O)cc(I)c1O ZINC000000117579 97/50/02/294975002 FBBCSYADXYILEH-UHFFFAOYSA-N -1 278.045 CD 1.818 0 Anodyne ref CDAARM COc1cc(C=O)cc(I)c1[O-] in-vitro biogenic COc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1O ZINC000000123703 88/92/26/355889226 JWNFSTNMEBJXKG-XVKPBYJWSA-N 0 255.295 CD 1.189 2 Anodyne low CDAALN COc1cc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)ccc1O COc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1O ZINC000000123703 88/92/24/355889224 JWNFSTNMEBJXKG-XVKPBYJWSA-N -1 255.295 CD 1.189 0 Anodyne ref CDAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1O COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1O ZINC000000123706 88/89/01/355888901 JWNFSTNMEBJXKG-OIBJUYFYSA-N 0 255.295 CD 1.189 2 Anodyne low CDAALN COc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)ccc1O COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1O ZINC000000123706 88/88/94/355888894 JWNFSTNMEBJXKG-OIBJUYFYSA-N -1 255.295 CD 1.189 0 Anodyne ref CDAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1O COC(=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000137207 13/37/57/359133757 YBOOBLNSFSZGGE-UHFFFAOYSA-N 0 255.226 CD 1.327 0 Bother ref CDBARN COC(=O)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] COc1ccc(CCN2C[C@@H](C(=O)O)CC2=O)cc1OC ZINC000000151471 89/18/12/355891812 LENAMXSEAKOBKB-NSHDSACASA-N -1 293.319 CD 1.179 0 Anodyne ref CDAARM COc1ccc(CCN2C[C@@H](C(=O)[O-])CC2=O)cc1OC aggregator COc1ccc(CCN2C[C@H](C(=O)O)CC2=O)cc1OC ZINC000000151473 55/55/26/169555526 LENAMXSEAKOBKB-LLVKDONJSA-N -1 293.319 CD 1.179 0 Anodyne ref CDAARM COc1ccc(CCN2C[C@H](C(=O)[O-])CC2=O)cc1OC aggregator O=C(O)c1c[nH]c2c(Br)cccc2c1=O ZINC000000151634 21/84/96/304218496 NKUGXZLINWIUOR-UHFFFAOYSA-N -1 268.066 CD 1.989 0 Anodyne ref CDAARM O=C([O-])c1cnc2c(Br)cccc2c1O O=C(O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000152519 89/16/58/355891658 WRHRAYXDNAARBQ-UHFFFAOYSA-N -1 294.326 CD 1.729 0 Anodyne ref CDAARM O=C([O-])CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 CCOC(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000000153481 89/18/30/355891830 KNGPBMDNKGJVFB-UHFFFAOYSA-N 0 269.732 CD 1.91 0 Anodyne ref CDAARN CCOC(=O)C1CCN(c2ccc(Cl)nn2)CC1 O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000000154659 25/33/22/304253322 KTMTUGYSHWKLNN-UHFFFAOYSA-N -1 288.28 CD 1.762 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O CCOC(=O)Cc1csc(NC(=O)CCC(=O)O)n1 ZINC000000154981 89/19/96/355891996 JJAIOCMKLLFZTB-UHFFFAOYSA-N -1 286.309 CD 1.052 0 Anodyne ref CDAARM CCOC(=O)Cc1csc(NC(=O)CCC(=O)[O-])n1 CCOC(=O)Oc1c(OC)cc(C(=O)O)cc1OC ZINC000000156006 55/71/51/169557151 KSIOSIYBQLJZIW-UHFFFAOYSA-N -1 270.237 CD 1.937 0 Anodyne ref CDAARM CCOC(=O)Oc1c(OC)cc(C(=O)[O-])cc1OC CCOC(=O)c1ccc(N2CCOCC2)c(N)c1 ZINC000000164850 89/28/01/355892801 BFHAMNGFRPDRGR-UHFFFAOYSA-N 0 250.298 CD 1.282 0 Anodyne ref CDAARN CCOC(=O)c1ccc(N2CCOCC2)c(N)c1 CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O ZINC000000166179 89/25/85/355892585 VNRQLAGSSZUTTO-JTQLQIEISA-N -1 275.301 CD 1.213 0 Anodyne ref CDAARM CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O ZINC000000166182 89/24/68/355892468 VZOJAOITKGOGKF-JTQLQIEISA-N -1 291.756 CD 1.728 0 Anodyne ref CDAARM CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] O=C(O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000168779 89/36/31/355893631 ROBBWMKVNMSDPF-UHFFFAOYSA-N -1 269.322 CD 1.172 0 Anodyne ref CDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccccc2)CC1 COC(=O)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000000169105 89/39/53/355893953 HPDABTZAYLFFDV-UHFFFAOYSA-N 0 255.705 CD 1.519 0 Anodyne ref CDAARN COC(=O)C1CCN(c2ccc(Cl)nn2)CC1 O=C(O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000169244 89/38/32/355893832 XLGNTFOVANBJCQ-UHFFFAOYSA-N -1 287.312 CD 1.311 0 Anodyne ref CDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 COc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 ZINC000000169246 89/34/92/355893492 XCSWWTGQHOOLAE-UHFFFAOYSA-N -1 299.348 CD 1.18 0 Anodyne ref CDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 O=C(O)c1nn(-c2ccc(Cl)cc2)ccc1=O ZINC000000169526 56/21/69/169562169 ALSMZXGESQGWEH-UHFFFAOYSA-N -1 250.641 CD 1.584 0 Anodyne ref CDAARM O=C([O-])c1nn(-c2ccc(Cl)cc2)ccc1=O COc1ccc(Cc2nnc(N)s2)cc1OC ZINC000000177413 89/39/26/355893926 BKKKEBSOCPEXSG-UHFFFAOYSA-N 0 251.311 CD 1.728 0 Anodyne ref CDAARN COc1ccc(Cc2nnc(N)s2)cc1OC Cc1nn([C@@H](CC(=O)O)C(=O)O)c(C)c1Br ZINC000000185053 89/45/30/355894530 BOSYIMSPNWXYOX-LURJTMIESA-N -2 291.101 CD 1.363 0 Anodyne ref CDAARL Cc1nn([C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1Br Cc1nn([C@H](CC(=O)O)C(=O)O)c(C)c1Br ZINC000000185058 56/74/78/169567478 BOSYIMSPNWXYOX-ZCFIWIBFSA-N -2 291.101 CD 1.363 0 Anodyne ref CDAARL Cc1nn([C@H](CC(=O)[O-])C(=O)[O-])c(C)c1Br CN1C(=O)N(C)[C@](O)(c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000000186367 89/48/76/355894876 NXQPKFDLVDLKBZ-IRXDYDNUSA-N 0 298.342 CD 1.674 0 Anodyne ref CDAARN CN1C(=O)N(C)[C@](O)(c2ccccc2)[C@@]1(O)c1ccccc1 CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O ZINC000000186516 89/44/77/355894477 FLJPDKBVKGRHQC-NSHDSACASA-N -1 271.338 CD 1.464 0 Anodyne ref CDAARM CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O ZINC000000186524 89/43/91/355894391 WWGFHIUBQGZSMR-KOLCDFICSA-N -1 271.338 CD 1.464 0 Anodyne ref CDAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O ZINC000000186533 89/43/84/355894384 UXOPGXZTLNPMIR-KCJUWKMLSA-N -1 289.328 CD 1.603 0 Anodyne ref CDAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O ZINC000000186535 89/46/36/355894636 UXOPGXZTLNPMIR-KWQFWETISA-N -1 289.328 CD 1.603 0 Anodyne ref CDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O ZINC000000189947 89/47/57/355894757 LOCUVUONCCLSGK-UHFFFAOYSA-N -2 283.239 CD 1.891 3 Anodyne high CDAAHL O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccc1[O-])C2=O O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O ZINC000000189947 89/47/53/355894753 LOCUVUONCCLSGK-UHFFFAOYSA-N -1 283.239 CD 1.891 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O COc1cc2c(cc1OC)CN(CCC(=O)O)CC2 ZINC000000209541 03/99/68/295039968 WBSFXIIDLAELJP-UHFFFAOYSA-N -1 265.309 CD 1.537 3 Anodyne high CDAAHM COc1cc2c(cc1OC)CN(CCC(=O)[O-])CC2 COc1cc2c(cc1OC)CN(CCC(=O)O)CC2 ZINC000000209541 03/99/66/295039966 WBSFXIIDLAELJP-UHFFFAOYSA-N 0 265.309 CD 1.537 1 Anodyne mid CDAAMN COc1cc2c(cc1OC)C[N@@H+](CCC(=O)[O-])CC2 COc1cc2c(cc1OC)CN(CCC(=O)O)CC2 ZINC000000209541 03/99/56/295039956 WBSFXIIDLAELJP-UHFFFAOYSA-N 0 265.309 CD 1.537 0 Anodyne ref CDAARN COc1cc2c(cc1OC)C[N@H+](CCC(=O)[O-])CC2 COc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1 ZINC000000222494 89/74/69/355897469 BCSZJYKVJMJMBT-LLVKDONJSA-N -1 272.264 CD 1.27 0 Anodyne ref CDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 COc1ccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)cc1 ZINC000000222495 89/73/52/355897352 BCSZJYKVJMJMBT-NSHDSACASA-N -1 272.264 CD 1.27 0 Anodyne ref CDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 O=C(O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000237810 89/79/02/355897902 LTIXOYIZMIXNIK-UHFFFAOYSA-N -1 255.295 CD 1.169 0 Anodyne ref CDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCC2)cc1 O=C(O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000000245822 89/85/08/355898508 UZMCSTKSVWZMJA-UHFFFAOYSA-N -1 255.295 CD 1.169 0 Anodyne ref CDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCC2)c1 O=C(O)c1ccc2c(c1)C(=O)N(c1cccnc1)C2=O ZINC000000264136 25/21/41/304252141 GBXDDZNYIUMDCM-UHFFFAOYSA-N -1 268.228 CD 1.58 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccnc1)C2=O COc1cc([C@H](N)CC(=O)O)ccc1OC(C)C ZINC000000266108 89/98/90/355899890 VJANWWLOYWLUTK-SNVBAGLBSA-N 0 253.298 CD 1.957 0 Anodyne ref CDAARN COc1cc([C@H]([NH3+])CC(=O)[O-])ccc1OC(C)C COc1cc([C@@H](N)CC(=O)O)ccc1OC(C)C ZINC000000266110 90/04/04/355900404 VJANWWLOYWLUTK-JTQLQIEISA-N 0 253.298 CD 1.957 0 Anodyne ref CDAARN COc1cc([C@@H]([NH3+])CC(=O)[O-])ccc1OC(C)C COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc(OC)c1OC ZINC000000277856 90/15/18/355901518 LZYQCYSHBONTGC-UFBFGSQYSA-N 0 299.348 CD 1.501 2 Anodyne low CDAALN COc1cc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc(OC)c1OC COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc(OC)c1OC ZINC000000277856 90/15/17/355901517 LZYQCYSHBONTGC-UFBFGSQYSA-N -1 299.348 CD 1.501 0 Anodyne ref CDAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(OC)c1OC COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(OC)c1OC ZINC000000277858 90/08/76/355900876 LZYQCYSHBONTGC-QPUJVOFHSA-N 0 299.348 CD 1.501 2 Anodyne low CDAALN COc1cc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc(OC)c1OC COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(OC)c1OC ZINC000000277858 90/08/71/355900871 LZYQCYSHBONTGC-QPUJVOFHSA-N -1 299.348 CD 1.501 0 Anodyne ref CDAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(OC)c1OC O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O ZINC000000285222 90/09/35/355900935 VCROVLIVVNWJOU-UHFFFAOYSA-N -1 283.239 CD 1.891 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)O ZINC000000287110 22/28/88/278222888 JHFOAISYWJRTIM-WPRPVWTQSA-N -1 273.354 CD 1.51 0 Anodyne ref CDAARM CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)[O-] in-vitro O=C(O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000000289460 59/83/20/169598320 KOVZEKMVDOCSHP-SECBINFHSA-N -1 275.26 CD 1.16 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O O=C(O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000000289464 59/84/93/169598493 KOVZEKMVDOCSHP-VIFPVBQESA-N -1 275.26 CD 1.16 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O O=C(O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O ZINC000000292605 90/21/82/355902182 SMHXCNFVPMENIX-UHFFFAOYSA-N -1 282.255 CD 1.576 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O O=Cc1c(N2CCCCC2)nc2ccccn2c1=O ZINC000000297929 44/28/25/296442825 BIEKQSISVQMOKS-UHFFFAOYSA-N 0 257.293 CD 1.497 0 Anodyne ref CDAARN O=Cc1c(N2CCCCC2)nc2ccccn2c1=O O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000323724 90/44/53/355904453 JKVDTLWEIJKWGT-SNVBAGLBSA-N -1 269.322 CD 1.172 0 Anodyne ref CDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000323730 90/46/83/355904683 JKVDTLWEIJKWGT-JTQLQIEISA-N -1 269.322 CD 1.172 0 Anodyne ref CDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 COc1ccc(-c2cc(C(=O)O)n(C)n2)c(OC)c1 ZINC000000324126 90/44/35/355904435 BEPDQCCXTKPYDO-UHFFFAOYSA-N -1 262.265 CD 1.802 0 Anodyne ref CDAARM COc1ccc(-c2cc(C(=O)[O-])n(C)n2)c(OC)c1 COc1cc2cc(C(=O)O)[nH]c2c(OC)c1OC ZINC000000337710 04/35/61/295043561 JZMUJQGIASARGH-UHFFFAOYSA-N -1 251.238 CD 1.892 0 Anodyne ref CDAARM COc1cc2cc(C(=O)[O-])[nH]c2c(OC)c1OC COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)O)CS[C@H]21 ZINC000000350040 27/76/12/295277612 QFCRTXNWLFIBNE-JVXZTZIISA-N -1 295.316 CD 1.358 0 Anodyne ref CDAARM COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)[O-])CS[C@H]21 COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)O ZINC000000350044 27/74/77/295277477 QFCRTXNWLFIBNE-MADCSZMMSA-N -1 295.316 CD 1.358 0 Anodyne ref CDAARM COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)[O-] COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)O)CS[C@H]21 ZINC000000350047 27/76/81/295277681 QFCRTXNWLFIBNE-JMCQJSRRSA-N -1 295.316 CD 1.358 0 Anodyne ref CDAARM COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)[O-])CS[C@H]21