CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1 ZINC000000001380 87/99/05/355879905 UACOQEQOBAQRDQ-UHFFFAOYSA-N -1 257.311 CD 1.415 0 Anodyne ref CDAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 in-man O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000028143 99/30/80/361993080 VAYRSTHMTWUHGE-AWEZNQCLSA-N -1 295.294 CD 1.978 0 Anodyne ref CDAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O in-vitro biogenic O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000028144 99/31/51/361993151 VAYRSTHMTWUHGE-CQSZACIVSA-N -1 295.294 CD 1.978 0 Anodyne ref CDAARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O in-vitro biogenic CC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccc(F)cc1 ZINC000000031806 07/52/75/278075275 QRPAQKCEQIGTSY-WDEREUQCSA-N -1 269.297 CD 1.873 0 Anodyne ref CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(F)cc1 COc1ccc(C=O)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000000035781 51/20/66/169512066 XMSJDGSKTKNJLS-UHFFFAOYSA-N 0 261.237 CD 1.661 0 Bother ref CDBARN COc1ccc(C=O)cc1Cn1cc([N+](=O)[O-])cn1 CCOC(=O)c1sc(N)c(C(=O)OCC)c1C ZINC000000035834 88/01/84/355880184 DGVXLHAJVRRLGV-UHFFFAOYSA-N 0 257.311 CD 1.992 0 Anodyne ref CDAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1C CCN(CC)C(=O)COc1ccc(C=O)cc1OC ZINC000000035857 88/05/95/355880595 BGIJJLSDXQBYJQ-UHFFFAOYSA-N 0 265.309 CD 1.755 0 Anodyne ref CDAARN CCN(CC)C(=O)COc1ccc(C=O)cc1OC Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O ZINC000000036432 88/15/13/355881513 KECOIASOKMSRFT-UHFFFAOYSA-N -1 280.305 CD 1.095 3 Anodyne high CDAAHM Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1[O-] Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O ZINC000000036432 88/15/07/355881507 KECOIASOKMSRFT-UHFFFAOYSA-N 0 280.305 CD 1.095 0 Anodyne ref CDAARN Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O ZINC000000041298 88/09/97/355880997 JMRACYBIVVGICX-UHFFFAOYSA-N 0 276.244 CD 1.952 0 Anodyne ref CDAARN CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O 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 Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 ZINC000000049140 88/10/58/355881058 XOXHILFPRYWFOD-UHFFFAOYSA-N 0 284.728 CD 1.513 2 Anodyne low CDAALN Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 in-man Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 ZINC000000049140 88/10/56/355881056 XOXHILFPRYWFOD-UHFFFAOYSA-N -1 284.728 CD 1.513 0 Anodyne ref CDAARM Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 in-man O=C(O)[C@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000053469 88/21/62/355882162 XFGXAJCIOOXIGL-XCBNKYQSSA-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 ZINC000000053469 88/21/60/355882160 XFGXAJCIOOXIGL-XCBNKYQSSA-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 ZINC000000053470 88/21/54/355882154 XFGXAJCIOOXIGL-GMSGAONNSA-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 ZINC000000053470 88/21/52/355882152 XFGXAJCIOOXIGL-GMSGAONNSA-N -1 253.279 CD 1.203 0 Anodyne ref CDAARM O=C([O-])[C@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O ZINC000000057456 88/22/96/355882296 RMOSZIHTPMEZAP-NSHDSACASA-N -1 261.277 CD 1.782 0 Anodyne ref CDAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O CC(C)C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O ZINC000000057457 07/67/22/279076722 RMOSZIHTPMEZAP-LLVKDONJSA-N -1 261.277 CD 1.782 0 Anodyne ref CDAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N ZINC000000063762 30/26/70/276302670 CXLVWGJEYPJEAG-UHFFFAOYSA-N 0 261.285 CD 1.038 0 Anodyne ref CDAARN CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N Cc1c(NC(=O)CC#N)c(=O)n(-c2ccccc2)n1C ZINC000000064990 88/32/05/355883205 VQWWWBVRTVXZKJ-UHFFFAOYSA-N 0 270.292 CD 1.337 0 Mild ref CDEARN Cc1c(NC(=O)CC#N)c(=O)n(-c2ccccc2)n1C CC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)O ZINC000000078009 07/39/39/278073939 RSOYXYPGWILLRY-CYBMUJFWSA-N -1 258.277 CD 1.526 0 Anodyne ref CDAARM CC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] 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=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 COc1cc(C(CC(=O)O)CC(=O)O)cc(OC)c1OC ZINC000000100034 88/62/80/355886280 XLJDNPGZFKBWJE-UHFFFAOYSA-N -2 298.291 CD 1.745 0 Anodyne ref CDAARL COc1cc(C(CC(=O)[O-])CC(=O)[O-])cc(OC)c1OC COc1cc(OC)cc([C@H]2N[C@@H](C(=O)O)CS2)c1 ZINC000000102449 88/70/84/355887084 LDAFEDIBZPMXFT-MNOVXSKESA-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 ZINC000000102449 88/70/78/355887078 LDAFEDIBZPMXFT-MNOVXSKESA-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 ZINC000000102452 88/69/52/355886952 LDAFEDIBZPMXFT-GHMZBOCLSA-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 ZINC000000102452 88/69/44/355886944 LDAFEDIBZPMXFT-GHMZBOCLSA-N -1 269.322 CD 1.492 0 Anodyne ref CDAARM COc1cc(OC)cc([C@@H]2N[C@@H](C(=O)[O-])CS2)c1 O=C(O)CS[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000102720 88/69/78/355886978 YTNPLWOAHMUJEA-VIFPVBQESA-N -1 265.29 CD 1.136 0 Anodyne ref CDAARM O=C([O-])CS[C@H]1CC(=O)N(c2ccccc2)C1=O O=C(O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000000106376 88/67/54/355886754 PUUMWLAHRHUIBU-VIFPVBQESA-N -1 253.685 CD 1.773 0 Anodyne ref CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000000106379 88/69/40/355886940 PUUMWLAHRHUIBU-SECBINFHSA-N -1 253.685 CD 1.773 0 Anodyne ref CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 C[C@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 ZINC000000122676 88/89/41/355888941 YCXPHUHJDQRZRT-JTQLQIEISA-N 0 254.355 CD 1.832 0 Anodyne ref CDAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 ZINC000000122680 32/04/02/296320402 YCXPHUHJDQRZRT-SNVBAGLBSA-N 0 254.355 CD 1.832 0 Anodyne ref CDAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 COc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1O ZINC000000123698 54/44/91/169544491 JWNFSTNMEBJXKG-XCBNKYQSSA-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 ZINC000000123698 54/44/90/169544490 JWNFSTNMEBJXKG-XCBNKYQSSA-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 ZINC000000123700 88/86/19/355888619 JWNFSTNMEBJXKG-GMSGAONNSA-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 ZINC000000123700 88/86/14/355888614 JWNFSTNMEBJXKG-GMSGAONNSA-N -1 255.295 CD 1.189 0 Anodyne ref CDAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1O COC(=O)c1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1 ZINC000000127882 88/98/89/355889889 ASAYCBZOZLTZEN-UWVGGRQHSA-N 0 267.306 CD 1.261 2 Anodyne low CDAALN COC(=O)c1ccc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1 COC(=O)c1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1 ZINC000000127882 88/98/85/355889885 ASAYCBZOZLTZEN-UWVGGRQHSA-N -1 267.306 CD 1.261 0 Anodyne ref CDAARM COC(=O)c1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 COC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1 ZINC000000127885 54/59/44/169545944 ASAYCBZOZLTZEN-VHSXEESVSA-N 0 267.306 CD 1.261 2 Anodyne low CDAALN COC(=O)c1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])CS2)cc1 COC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1 ZINC000000127885 54/59/42/169545942 ASAYCBZOZLTZEN-VHSXEESVSA-N -1 267.306 CD 1.261 0 Anodyne ref CDAARM COC(=O)c1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000142735 55/19/84/169551984 TWDXGFYTZRHHCF-UHFFFAOYSA-N 0 254.355 CD 1.88 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C ZINC000000151081 89/15/23/355891523 VOFMVGKEJXTNCQ-UHFFFAOYSA-N 0 256.327 CD 1.517 0 Anodyne ref CDAARN CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C 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 COc1ccc(Cl)cc1N1C[C@@H](C(=O)O)CC1=O ZINC000000151481 89/19/89/355891989 QLLPDFKYJGBZCA-ZETCQYMHSA-N -1 269.684 CD 1.786 0 Anodyne ref CDAARM COc1ccc(Cl)cc1N1C[C@@H](C(=O)[O-])CC1=O COc1ccc(Cl)cc1N1C[C@H](C(=O)O)CC1=O ZINC000000151482 55/54/78/169555478 QLLPDFKYJGBZCA-SSDOTTSWSA-N -1 269.684 CD 1.786 0 Anodyne ref CDAARM COc1ccc(Cl)cc1N1C[C@H](C(=O)[O-])CC1=O 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 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 Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 ZINC000000169239 56/17/12/169561712 YJRQMKSUAIKDDF-UHFFFAOYSA-N -1 283.349 CD 1.48 0 Anodyne ref CDAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)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 Cc1ccc(S(=O)(=O)n2ccc(C(=O)O)c2)cc1 ZINC000000172190 56/34/97/169563497 UYHPMGMXSFLPOF-UHFFFAOYSA-N -1 265.29 CD 1.732 0 Anodyne ref CDAARM Cc1ccc(S(=O)(=O)n2ccc(C(=O)[O-])c2)cc1 COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc1 ZINC000000177135 93/63/81/277936381 VUGWFHHXRWKZKD-JTQLQIEISA-N 0 269.304 CD 1.98 0 Anodyne ref CDAARN COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc1 COc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)cc1 ZINC000000177136 89/35/16/355893516 VUGWFHHXRWKZKD-SNVBAGLBSA-N 0 269.304 CD 1.98 0 Anodyne ref CDAARN COc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)cc1 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 COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1Cl ZINC000000186998 89/48/19/355894819 ZCPWASRXJNDMDW-ZETCQYMHSA-N -1 269.684 CD 1.786 0 Anodyne ref CDAARM COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1Cl COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1Cl ZINC000000187000 89/47/84/355894784 ZCPWASRXJNDMDW-SSDOTTSWSA-N -1 269.684 CD 1.786 0 Anodyne ref CDAARM COc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1Cl 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 O=C(O)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O ZINC000000192870 25/22/02/304252202 LNWAYWWOYHEHJX-UHFFFAOYSA-N -1 268.228 CD 1.58 0 Anodyne ref CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O COc1ccc([C@H]2SC[C@@H](C(=O)O)N2C(C)=O)cc1 ZINC000000207373 57/45/31/169574531 HMYDLHFCLSTJNZ-NWDGAFQWSA-N -1 281.333 CD 1.742 0 Anodyne ref CDAARM COc1ccc([C@H]2SC[C@@H](C(=O)[O-])N2C(C)=O)cc1 COc1ccc(CNC2CCN(C(C)=O)CC2)cc1 ZINC000000214630 89/74/43/355897443 FLNCNELEEPAVFG-UHFFFAOYSA-N 1 262.353 CD 1.796 0 Anodyne ref CDAARO COc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)cc1 CC(=O)N1CCC(NCc2ccc3c(c2)OCO3)CC1 ZINC000000217718 57/86/79/169578679 IMSCZSOCTFEOSR-UHFFFAOYSA-N 1 276.336 CD 1.516 0 Anodyne ref CDAARO CC(=O)N1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 O=C(O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000000224951 26/08/53/304260853 ACDDAJZIJAAEON-VXGBXAGGSA-N -1 271.272 CD 1.84 0 Anodyne ref CDAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc1OC ZINC000000228028 93/61/73/277936173 GUJOSGLEORDKLF-JTQLQIEISA-N 0 299.33 CD 1.989 0 Anodyne ref CDAARN COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc1OC COc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)cc1OC ZINC000000228032 89/83/75/355898375 GUJOSGLEORDKLF-SNVBAGLBSA-N 0 299.33 CD 1.989 0 Anodyne ref CDAARN COc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)cc1OC Cc1cc[nH]/c(=N\S(=O)(=O)c2ccc(N)cc2)c1 ZINC000000233861 89/81/65/355898165 CXQDKXNWLFJHLJ-UHFFFAOYSA-N 0 263.322 CD 1.195 2 Anodyne low CDAALN Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)c1 Cc1cc[nH]/c(=N\S(=O)(=O)c2ccc(N)cc2)c1 ZINC000000233861 89/81/61/355898161 CXQDKXNWLFJHLJ-UHFFFAOYSA-N -1 263.322 CD 1.195 0 Anodyne ref CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)c1 Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1 ZINC000000233866 89/79/40/355897940 JVYZFCMVEWGRSN-UHFFFAOYSA-N 0 263.322 CD 1.142 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)NCc2ccccn2)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 CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 ZINC000000241172 89/84/30/355898430 KUHQJTISYAFYHN-UHFFFAOYSA-N 0 288.328 CD 1.978 0 Anodyne ref CDAARN CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 O=C(O)CCn1c(=O)oc2cc(Br)ccc21 ZINC000000245911 89/83/89/355898389 IAFZBVTUIXNIPJ-UHFFFAOYSA-N -1 286.081 CD 1.832 0 Anodyne ref CDAARM O=C([O-])CCn1c(=O)oc2cc(Br)ccc21 Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000246428 89/82/48/355898248 FHCOBXPSQPZHOU-UHFFFAOYSA-N 0 254.355 CD 1.834 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 CCOC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000000255452 40/05/71/359400571 OZTZXCSOJKMYDM-UHFFFAOYSA-N 0 292.089 CD 1.425 0 Bother ref CDBARN CCOC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C O=C(O)CCS(=O)(=O)Cc1cccc(Cl)c1 ZINC000000259883 89/98/68/355899868 XYPXITILIJCXTO-UHFFFAOYSA-N -1 262.714 CD 1.73 0 Anodyne ref CDAARM O=C([O-])CCS(=O)(=O)Cc1cccc(Cl)c1 O=C(O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000000260189 89/98/46/355899846 CHOGMPPUSGFJEB-UHFFFAOYSA-N -1 291.328 CD 1.863 0 Anodyne ref CDAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccccc2)cc1 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 CCOc1cc(/C=C/C(=O)OC)ccc1OCC(N)=O ZINC000000266223 89/98/78/355899878 OTRJBPZTVHNGNO-FNORWQNLSA-N 0 279.292 CD 1.136 0 Anodyne ref CDAARN CCOc1cc(/C=C/C(=O)OC)ccc1OCC(N)=O O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3 ZINC000000268081 22/99/74/304229974 RVVIKJAZPQYDOS-UHFFFAOYSA-N -1 271.198 CD 1.935 0 Anodyne ref CDAARM O=C([O-])c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3 CC(=O)Nc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 ZINC000000268872 19/91/86/278199186 CMQAUGMSLZEXFP-SECBINFHSA-N -1 262.265 CD 1.082 0 Anodyne ref CDAARM CC(=O)Nc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 O=S1(=O)N=C(Nc2cccc(O)c2)c2ccccc21 ZINC000000271400 90/15/09/355901509 RNRPCULUYYYBCW-UHFFFAOYSA-N 0 274.301 CD 1.953 0 Anodyne ref CDAARN O=S1(=O)N=C(Nc2cccc(O)c2)c2ccccc21 COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(OC)c1OC ZINC000000277852 90/14/64/355901464 LZYQCYSHBONTGC-PELKAZGASA-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 ZINC000000277852 90/14/61/355901461 LZYQCYSHBONTGC-PELKAZGASA-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 ZINC000000277853 90/11/72/355901172 LZYQCYSHBONTGC-PRHODGIISA-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 ZINC000000277853 90/11/70/355901170 LZYQCYSHBONTGC-PRHODGIISA-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 CC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 ZINC000000286041 90/14/09/355901409 GMHMXSDZBUXIBZ-UHFFFAOYSA-N -1 283.349 CD 1.805 0 Anodyne ref CDAARM CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 CC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 ZINC000000287921 90/08/62/355900862 NTUKRLPMKLQAAE-UHFFFAOYSA-N 0 254.355 CD 1.689 0 Anodyne ref CDAARN CC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 O=C(CNC(=O)c1ccccc1C(=O)O)c1ccccc1 ZINC000000298829 90/23/31/355902331 VQRLTLHFHCPVEM-UHFFFAOYSA-N -1 283.283 CD 1.998 0 Anodyne ref CDAARM O=C(CNC(=O)c1ccccc1C(=O)[O-])c1ccccc1 Cc1cc(N)cc(C)c1OCC(=O)N1CCOCC1 ZINC000000308929 90/30/94/355903094 BWFSJJCYHKBKSC-UHFFFAOYSA-N 0 264.325 CD 1.123 0 Anodyne ref CDAARN Cc1cc(N)cc(C)c1OCC(=O)N1CCOCC1 COc1ccc(N2CCN(C(=O)CC#N)CC2)cc1 ZINC000000355247 90/62/57/355906257 YVDKFZIMWQRWNU-UHFFFAOYSA-N 0 259.309 CD 1.257 0 Mild ref CDEARN COc1ccc(N2CCN(C(=O)CC#N)CC2)cc1 Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000000359035 90/58/69/355905869 BYWZPUPRVIECEC-UHFFFAOYSA-N 0 276.361 CD 1.79 0 Anodyne ref CDAARN Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 in-vitro Nc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1 ZINC000000360309 90/59/24/355905924 TUXYWZQZGJNBTQ-UHFFFAOYSA-N 0 253.261 CD 1.652 0 Clean ref CDCARN Nc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1 O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(O)c1 ZINC000000380440 00/01/71/260000171 ZUPDZQJFUVYKJT-UHFFFAOYSA-N 0 295.298 CD 1.741 0 Anodyne ref CDAARN O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(O)c1 COc1ccc(N2C[C@@H](C(=O)O)CC2=O)c(OC)c1 ZINC000000386545 90/78/51/355907851 MXNQXFPGGPZDQK-QMMMGPOBSA-N -1 265.265 CD 1.141 0 Anodyne ref CDAARM COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c(OC)c1