CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 ZINC000000070256 67/96/89/395679689 XNJBIHVSRVILJD-VOTSOKGWSA-N -2 312.303 DC 0.091 0 Anodyne ref DCAARL CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 ZINC000000096882 10/81/03/541108103 SKDIMRRKRVTENP-YDFGWWAZSA-N -2 304.258 DC 0.845 0 Anodyne ref DCAARL O=C([O-])/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)[O-])c1 O=C(O)CCC(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000000136387 61/21/92/190612192 FOZDIZYYHQQUIE-UHFFFAOYSA-N -1 306.318 DC 0.962 0 Anodyne ref DCAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCOCC1 O=C(O)CCC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCC(=O)O ZINC000000142321 04/52/56/304045256 KRMIVLQAOAGSSY-AOOOYVTPSA-N -2 314.338 DC 0.26 0 Anodyne ref DCAARL O=C([O-])CCC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCC(=O)[O-] O=C(O)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)O ZINC000000142323 04/52/57/304045257 KRMIVLQAOAGSSY-NXEZZACHSA-N -2 314.338 DC 0.26 0 Anodyne ref DCAARL O=C([O-])CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCC(=O)[O-] O=C(O)CCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)O ZINC000000142326 67/99/84/395679984 KRMIVLQAOAGSSY-UWVGGRQHSA-N -2 314.338 DC 0.26 0 Anodyne ref DCAARL O=C([O-])CCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CCC(=O)[O-] CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 ZINC000000213867 68/00/61/395680061 KFTWTNRNXVBUCC-UHFFFAOYSA-N -2 314.319 DC 0.315 0 Anodyne ref DCAARL CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000358153 68/03/47/395680347 LVODTDQQOSZBNM-UHFFFAOYSA-N 0 319.346 DC 0.523 0 Mild ref DCEARN N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON1C(=O)CCC1=O ZINC000000399463 68/03/62/395680362 DICWIJISMKZDDY-VIFPVBQESA-N 0 312.322 DC 0.993 0 Mild ref DCEARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON1C(=O)CCC1=O in-vitro CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)ON1C(=O)CCC1=O ZINC000000399464 77/72/55/180777255 DICWIJISMKZDDY-SECBINFHSA-N 0 312.322 DC 0.993 0 Mild ref DCEARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)ON1C(=O)CCC1=O CN(C)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 ZINC000000556208 68/05/92/395680592 VAEZXBOKUMXNRO-UHFFFAOYSA-N -1 300.336 DC 0.74 0 Anodyne ref DCAARM CN(C)S(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000001003777 68/07/06/395680706 CGUHZFAVYGANEQ-UHFFFAOYSA-N 0 301.393 DC 0.77 0 Anodyne ref DCAARN CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)c(OC)c1 ZINC000001236577 68/07/22/395680722 NDHQXIIVAUUZKN-GFCCVEGCSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c(OC)c1 COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)c(OC)c1 ZINC000001236577 68/07/21/395680721 NDHQXIIVAUUZKN-GFCCVEGCSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c(OC)c1 COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)c(OC)c1 ZINC000001236577 68/07/20/395680720 NDHQXIIVAUUZKN-GFCCVEGCSA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c(OC)c1 COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c(OC)c1 ZINC000001236579 68/06/96/395680696 NDHQXIIVAUUZKN-LBPRGKRZSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c(OC)c1 COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c(OC)c1 ZINC000001236579 68/06/95/395680695 NDHQXIIVAUUZKN-LBPRGKRZSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c(OC)c1 COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c(OC)c1 ZINC000001236579 68/06/94/395680694 NDHQXIIVAUUZKN-LBPRGKRZSA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c(OC)c1 COc1cc(CN2CCNC(=O)[C@H]2CC(=O)O)cc(OC)c1 ZINC000001236589 68/07/26/395680726 RXOCYZSKLDMEMZ-CYBMUJFWSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc(OC)c1 COc1cc(CN2CCNC(=O)[C@H]2CC(=O)O)cc(OC)c1 ZINC000001236589 68/07/25/395680725 RXOCYZSKLDMEMZ-CYBMUJFWSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc(OC)c1 COc1cc(CN2CCNC(=O)[C@H]2CC(=O)O)cc(OC)c1 ZINC000001236589 68/07/24/395680724 RXOCYZSKLDMEMZ-CYBMUJFWSA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc(OC)c1 COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc(OC)c1 ZINC000001236591 68/06/93/395680693 RXOCYZSKLDMEMZ-ZDUSSCGKSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc(OC)c1 COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc(OC)c1 ZINC000001236591 68/06/92/395680692 RXOCYZSKLDMEMZ-ZDUSSCGKSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc(OC)c1 COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc(OC)c1 ZINC000001236591 68/06/91/395680691 RXOCYZSKLDMEMZ-ZDUSSCGKSA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc(OC)c1 COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1OC ZINC000001236593 29/76/73/295297673 IVXJAXDNDTZWLE-LLVKDONJSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1OC COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1OC ZINC000001236593 29/76/70/295297670 IVXJAXDNDTZWLE-LLVKDONJSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1OC COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)O)c1OC ZINC000001236593 29/76/62/295297662 IVXJAXDNDTZWLE-LLVKDONJSA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1OC COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1OC ZINC000001236595 29/76/95/295297695 IVXJAXDNDTZWLE-NSHDSACASA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1OC COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1OC ZINC000001236595 29/76/91/295297691 IVXJAXDNDTZWLE-NSHDSACASA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1OC COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)O)c1OC ZINC000001236595 29/76/87/295297687 IVXJAXDNDTZWLE-NSHDSACASA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1OC COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1OC ZINC000001236687 68/06/38/395680638 FDEWUQADCXNEKR-LLVKDONJSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1OC COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1OC ZINC000001236687 68/06/37/395680637 FDEWUQADCXNEKR-LLVKDONJSA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1OC COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1OC ZINC000001236687 68/06/36/395680636 FDEWUQADCXNEKR-LLVKDONJSA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1OC COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1OC ZINC000001236689 68/06/21/395680621 FDEWUQADCXNEKR-NSHDSACASA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1OC COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1OC ZINC000001236689 68/06/20/395680620 FDEWUQADCXNEKR-NSHDSACASA-N 0 308.334 DC 0.479 2 Anodyne low DCAALN COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1OC COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1OC ZINC000001236689 68/06/19/395680619 FDEWUQADCXNEKR-NSHDSACASA-N -1 308.334 DC 0.479 0 Anodyne ref DCAARM COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1OC COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=S)N=C1O ZINC000001794833 68/11/20/395681120 DWFJBVGHORAEOQ-UHFFFAOYSA-N -2 323.29 DC 0.742 3 Mild high DCEAHL COc1ccc([N+](=O)[O-])cc1N=Nc1c([O-])[nH]c(=S)[n-]c1=O COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=S)N=C1O ZINC000001794833 68/11/19/395681119 DWFJBVGHORAEOQ-UHFFFAOYSA-N 0 323.29 DC 0.742 1 Mild mid DCEAMN COc1ccc([N+](=O)[O-])cc1NN=C1C(=O)NC(=S)NC1=O COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=S)N=C1O ZINC000001794833 68/11/18/395681118 DWFJBVGHORAEOQ-UHFFFAOYSA-N -1 323.29 DC 0.742 0 Mild ref DCEARM COc1ccc([N+](=O)[O-])cc1NN=C1C(=O)[N-]C(=S)NC1=O COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926580 90/20/92/180902092 ZBXZZODSQINRIV-BPJJOFIESA-N 0 304.346 DC 0.983 2 Anodyne low DCAALN COc1ccccc1/C=C/C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926580 90/20/91/180902091 ZBXZZODSQINRIV-BPJJOFIESA-N 0 304.346 DC 0.983 2 Anodyne low DCAALN COc1ccccc1/C=C/C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)O ZINC000001926580 90/20/89/180902089 ZBXZZODSQINRIV-BPJJOFIESA-N -1 304.346 DC 0.983 0 Anodyne ref DCAARM COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)[O-] COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=O)N=C1O ZINC000002133486 68/13/35/395681335 URZCRUBCXRNPDF-UHFFFAOYSA-N -2 307.222 DC 0.578 3 Mild high DCEAHL COc1ccc([N+](=O)[O-])cc1[N-]N=C1C(=O)[N-]C(=O)NC1=O COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=O)N=C1O ZINC000002133486 68/13/34/395681334 URZCRUBCXRNPDF-UHFFFAOYSA-N -1 307.222 DC 0.578 2 Mild low DCEALM COc1ccc([N+](=O)[O-])cc1N/N=C1\C(=O)[N-]C(=O)NC1=O COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=O)N=C1O ZINC000002133486 68/13/33/395681333 URZCRUBCXRNPDF-UHFFFAOYSA-N -1 307.222 DC 0.578 2 Mild low DCEALM COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)[N-]C(=O)NC1=O COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=O)N=C1O ZINC000002133486 68/13/32/395681332 URZCRUBCXRNPDF-UHFFFAOYSA-N 0 307.222 DC 0.578 2 Mild low DCEALN COc1ccc([N+](=O)[O-])cc1NN=C1C(=O)NC(=O)NC1=O COc1ccc([N+](=O)[O-])cc1N/N=C1/C(=O)NC(=O)N=C1O ZINC000002133486 68/13/31/395681331 URZCRUBCXRNPDF-UHFFFAOYSA-N -1 307.222 DC 0.578 0 Mild ref DCEARM COc1ccc([N+](=O)[O-])cc1NN=C1C(=O)[N-]C(=O)NC1=O CCOC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002134161 68/12/83/395681283 RFJNBIUPOREESK-UHFFFAOYSA-N 0 300.336 DC 0.616 0 Anodyne ref DCAARN CCOC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 CC(C)C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002137020 12/50/09/415125009 HAKDUFPSQDSSCE-UHFFFAOYSA-N 0 301.393 DC 0.803 0 Anodyne ref DCAARN CC(C)C(=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 O=C1CN(C(=S)NC(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000002886234 96/80/38/180968038 COYLXPDDEUCOIN-UHFFFAOYSA-N 0 308.319 DC 0.041 0 Bother ref DCBARN O=C1CN(C(=S)NC(=O)c2ccccc2[N+](=O)[O-])CCN1 COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)O ZINC000004502202 11/64/08/181116408 ZBXZZODSQINRIV-DIECRNLCSA-N 0 304.346 DC 0.983 2 Anodyne low DCAALN COc1ccccc1/C=C/C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)O ZINC000004502202 11/64/06/181116406 ZBXZZODSQINRIV-DIECRNLCSA-N 0 304.346 DC 0.983 2 Anodyne low DCAALN COc1ccccc1/C=C/C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)O ZINC000004502202 11/64/04/181116404 ZBXZZODSQINRIV-DIECRNLCSA-N -1 304.346 DC 0.983 0 Anodyne ref DCAARM COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)[O-] O=C(O)CCC(=O)NCCCCCCNC(=O)CCC(=O)O ZINC000004657024 13/26/57/181132657 SFTAUCUOSGGSBV-UHFFFAOYSA-N -2 316.354 DC 0.509 0 Anodyne ref DCAARL O=C([O-])CCC(=O)NCCCCCCNC(=O)CCC(=O)[O-] CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000005226092 21/90/48/181219048 ZVRIGXKAUDNKDM-UVTDQMKNSA-N 0 319.317 DC 0.931 0 Bother ref DCBARN CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 COc1ccc(OCC(=O)NC(=S)N2CCOCC2)cc1 ZINC000006405764 33/84/89/181338489 IPQKRAUTCBFEHL-UHFFFAOYSA-N 0 310.375 DC 0.807 0 Anodyne ref DCAARN COc1ccc(OCC(=O)NC(=S)N2CCOCC2)cc1 CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 ZINC000006856964 62/48/40/190624840 HIGRPOBBNIABCX-UHFFFAOYSA-N -1 315.376 DC 0.344 0 Anodyne ref DCAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1 C=CCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 ZINC000008554572 56/37/16/181563716 ILEHRZJGDYWIDM-UHFFFAOYSA-N -1 312.347 DC 0.954 0 Mild ref DCEARM C=CCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 COC(=O)c1cccc(C(=O)NC(=S)N2CCOCC2)c1 ZINC000010293250 66/42/99/181664299 ISKVIJPQYJOUFD-UHFFFAOYSA-N 0 308.359 DC 0.82 0 Anodyne ref DCAARN COC(=O)c1cccc(C(=O)NC(=S)N2CCOCC2)c1 CC(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012138813 73/22/80/181732280 DDIKPYSJFRQXES-UHFFFAOYSA-N 0 307.375 DC 0.992 0 Anodyne ref DCAARN CC(=O)NC(=S)Nc1cccc(C(=O)N2CCOCC2)c1 N#C/C(=N/Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(N)=O ZINC000012374499 68/73/95/395687395 MZVWWXDREQBHSQ-ATVHPVEESA-N 0 321.362 DC 0.248 0 Mild ref DCEARN N#CC(=NNc1ccc(S(=O)(=O)N2CCCC2)cc1)C(N)=O CC(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000012405994 68/76/48/395687648 WVUKSEWFVDEGPZ-UHFFFAOYSA-N 0 307.375 DC 0.992 0 Anodyne ref DCAARN CC(=O)NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1 CC1=NN(C(N)=S)C(=O)/C1=N\Nc1cc([N+](=O)[O-])ccc1F ZINC000012412972 15/09/40/415150940 SVJDQMSWIXFOTB-DHDCSXOGSA-N -1 324.297 DC 0.963 3 Mild high DCEAHM CC1=NN(C(N)=S)C(=O)C1=N[N-]c1cc([N+](=O)[O-])ccc1F CC1=NN(C(N)=S)C(=O)/C1=N\Nc1cc([N+](=O)[O-])ccc1F ZINC000012412972 15/09/21/415150921 SVJDQMSWIXFOTB-DHDCSXOGSA-N 0 324.297 DC 0.963 0 Mild ref DCEARN CC1=NN(C(N)=S)C(=O)C1=NNc1cc([N+](=O)[O-])ccc1F CC1=NN(C(N)=S)C(=O)/C1=N\Nc1cccc([N+](=O)[O-])c1 ZINC000012413036 75/88/32/181758832 ZPEYKRSZWSEYPY-ZROIWOOFSA-N 0 306.307 DC 0.824 0 Mild ref DCEARN CC1=NN(C(N)=S)C(=O)C1=NNc1cccc([N+](=O)[O-])c1 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC000013233295 68/85/51/395688551 ZZORFUFYDOWNEF-UHFFFAOYSA-N 0 310.335 DC 0.877 1 Anodyne mid DCAAMN COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 world COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC000013233295 68/85/50/395688550 ZZORFUFYDOWNEF-UHFFFAOYSA-N -1 310.335 DC 0.877 0 Anodyne ref DCAARM COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 world CN1CCN(C(=O)c2cccc(NC(=O)CCC(=O)O)c2)CC1 ZINC000014554088 68/96/30/395689630 ITWCFXXYOKHJBT-UHFFFAOYSA-N 0 319.361 DC 0.877 1 Anodyne mid DCAAMN C[NH+]1CCN(C(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)CC1 CN1CCN(C(=O)c2cccc(NC(=O)CCC(=O)O)c2)CC1 ZINC000014554088 68/96/29/395689629 ITWCFXXYOKHJBT-UHFFFAOYSA-N -1 319.361 DC 0.877 0 Anodyne ref DCAARM CN1CCN(C(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)CC1 CN1CCN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020064278 18/48/43/182184843 ORQPIGKOFBXEBC-UHFFFAOYSA-N 1 308.363 DC 0.857 1 Bother mid DCBAMO C[NH+]1CCN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 CN1CCN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020064278 18/48/42/182184842 ORQPIGKOFBXEBC-UHFFFAOYSA-N 0 308.363 DC 0.857 0 Bother ref DCBARN CN1CCN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000035877339 72/20/17/395722017 HVAIXBHLSPWCFS-UHFFFAOYSA-N 1 323.418 DC 0.971 2 Anodyne low DCAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000035877339 72/20/16/395722016 HVAIXBHLSPWCFS-UHFFFAOYSA-N 0 323.418 DC 0.971 0 Anodyne ref DCAARN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1 ZINC000055008582 90/89/64/395908964 UNAWHJLPLGCWPN-CQSZACIVSA-N 0 306.362 DC 0.949 0 Anodyne ref DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1 CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1 ZINC000055008583 53/74/08/256537408 UNAWHJLPLGCWPN-AWEZNQCLSA-N 0 306.362 DC 0.949 0 Anodyne ref DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1 CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1 ZINC000055421989 91/89/19/395918919 CTSPYXVEGKROAA-AWEZNQCLSA-N 0 306.362 DC 0.949 0 Anodyne ref DCAARN CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1 CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 ZINC000055421993 91/88/34/395918834 CTSPYXVEGKROAA-CQSZACIVSA-N 0 306.362 DC 0.949 0 Anodyne ref DCAARN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000055422016 91/88/66/395918866 DFMKZWISLBUSOG-CYBMUJFWSA-N 0 306.362 DC 0.949 0 Anodyne ref DCAARN CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1OC CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC ZINC000055422018 91/88/01/395918801 DFMKZWISLBUSOG-ZDUSSCGKSA-N 0 306.362 DC 0.949 0 Anodyne ref DCAARN CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OC COC(=O)C(NCCNC(=O)OCc1ccccc1)C(=O)OC ZINC000095951517 56/48/19/415564819 BGYPEFYBNBLZJD-UHFFFAOYSA-N 0 324.333 DC 0.217 0 Anodyne ref DCABRN COC(=O)C(NCCNC(=O)OCc1ccccc1)C(=O)OC CCN(CC)S(=O)(=O)c1ccc(N/N=C(/C#N)C(N)=O)cc1 ZINC000096465753 75/38/91/395753891 IZRIVHNLCGXLOC-ATVHPVEESA-N 0 323.378 DC 0.494 0 Mild ref DCEARN CCN(CC)S(=O)(=O)c1ccc(NN=C(C#N)C(N)=O)cc1 CC1=NN(C(N)=S)C(=O)/C1=N/Nc1ccc([N+](=O)[O-])cc1 ZINC000100005929 92/56/25/275925625 HQEZFIFCWLOOHF-NTEUORMPSA-N 0 306.307 DC 0.824 0 Mild ref DCEARN CC1=NN(C(N)=S)C(=O)C1=NNc1ccc([N+](=O)[O-])cc1 CC1=NN(C(N)=S)C(=O)/C1=N/Nc1cccc(C(=O)O)c1 ZINC000100005937 58/92/82/415589282 GACAVZOBLPUBKK-OQLLNIDSSA-N -1 305.319 DC 0.614 0 Mild ref DCEARM CC1=NN(C(N)=S)C(=O)C1=NNc1cccc(C(=O)[O-])c1 CC(=O)Nc1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2C)cc1 ZINC000100008738 59/02/23/415590223 XNKWTAXPOFCJRM-BOPFTXTBSA-N 0 318.362 DC 0.875 2 Mild low DCEALN CC(=O)Nc1ccc(NN=C2C(=O)N(C(N)=S)N=C2C)cc1 CC(=O)Nc1ccc(N/N=C2\C(=O)N(C(N)=S)N=C2C)cc1 ZINC000100008738 59/02/08/415590208 XNKWTAXPOFCJRM-BOPFTXTBSA-N -1 318.362 DC 0.875 0 Mild ref DCEARM CC(=O)Nc1ccc(N=Nc2c(C)[n-]n(C(N)=S)c2=O)cc1 CC1=NN(C(N)=S)C(=O)/C1=N/Nc1ccc(C(N)=O)cc1 ZINC000100014537 59/03/84/415590384 JAJYLMUEKZUTOJ-CXUHLZMHSA-N 0 304.335 DC 0.015 0 Mild ref DCEARN CC1=NN(C(N)=S)C(=O)C1=NNc1ccc(C(N)=O)cc1 CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccccc1[N+](=O)[O-] ZINC000100014540 59/06/75/415590675 QKFSDHDCGACKIY-ZROIWOOFSA-N -1 306.307 DC 0.824 1 Mild mid DCEAMM CC1=NN(C(N)=S)C(=O)C1=N[N-]c1ccccc1[N+](=O)[O-] CC1=NN(C(N)=S)C(=O)/C1=N\Nc1ccccc1[N+](=O)[O-] ZINC000100014540 59/06/66/415590666 QKFSDHDCGACKIY-ZROIWOOFSA-N 0 306.307 DC 0.824 0 Mild ref DCEARN CC1=NN(C(N)=S)C(=O)C1=NNc1ccccc1[N+](=O)[O-] CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1=O ZINC000152907490 01/79/08/396017908 YMHGIIUVHNSZIV-UHFFFAOYSA-N 0 311.341 DC 0.956 0 Anodyne ref DCABRN CN1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1=O Cn1c(=O)c2ccc(C3CCC(CN)CC3)nc2n(C)c1=O ZINC000254286889 60/77/30/282607730 OYCGXKDVFRURRA-UHFFFAOYSA-N 1 302.378 DC 0.865 0 Anodyne ref DCABRO Cn1c(=O)c2ccc(C3CCC(C[NH3+])CC3)nc2n(C)c1=O CN1CCN(C(=O)c2ccc(-c3ccncc3)nc2O)CC1=O ZINC000371769984 58/46/11/159584611 OTXFMJHWRLGMJT-UHFFFAOYSA-N 0 312.329 DC 0.763 0 Anodyne ref DCABRN CN1CCN(C(=O)c2ccc(-c3ccncc3)[nH]c2=O)CC1=O CCOC(=O)[C@H](C)N1C(=O)/C(=N\NC(N)=S)c2ccccc21 ZINC000536554697 84/86/15/337848615 BQBCTGSDDHTLQC-OPVNVCPSSA-N 0 320.374 DC 0.522 0 Mild ref DCEBRN CCOC(=O)[C@H](C)N1C(=O)/C(=N\NC(N)=S)c2ccccc21 CCOC(=O)[C@@H](C)N1C(=O)/C(=N\NC(N)=S)c2ccccc21 ZINC000536554698 84/86/23/337848623 BQBCTGSDDHTLQC-QOYDFYKXSA-N 0 320.374 DC 0.522 0 Mild ref DCEBRN CCOC(=O)[C@@H](C)N1C(=O)/C(=N\NC(N)=S)c2ccccc21 CN1CCN(C(=O)c2ccc(-c3cccnc3)nc2O)CC1=O ZINC000644149444 48/48/71/417484871 PJEACRNGDDKXMS-UHFFFAOYSA-N 0 312.329 DC 0.763 0 Anodyne ref DCABRN CN1CCN(C(=O)c2ccc(-c3cccnc3)[nH]c2=O)CC1=O