COc1cccc(CCc2ccccc2OC[C@H](O)CN(C)C)c1 ZINC000000004716 31/72/77/471317277 VNRNJNRVACIMAP-GOSISDBHSA-N 0 329.44 EF 2.782 3 Anodyne high EFAAHN COc1cccc(CCc2ccccc2OC[C@H](O)CN(C)C)c1 COc1cccc(CCc2ccccc2OC[C@H](O)CN(C)C)c1 ZINC000000004716 31/72/70/471317270 VNRNJNRVACIMAP-GOSISDBHSA-N 1 329.44 EF 2.782 0 Anodyne ref EFAARO COc1cccc(CCc2ccccc2OC[C@H](O)C[NH+](C)C)c1 Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3 ZINC000000004939 31/77/88/471317788 PSPGQHXMUKWNDI-UHFFFAOYSA-N 0 341.411 EF 2.884 0 Anodyne ref EFAARN Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3 in-man C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000000005936 31/78/39/471317839 QEMSVZNTSXPFJA-HNAYVOBHSA-N 0 327.424 EF 2.798 3 Anodyne high EFAAHN C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1 investigational C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000000005936 31/78/33/471317833 QEMSVZNTSXPFJA-HNAYVOBHSA-N 1 327.424 EF 2.798 0 Anodyne ref EFAARO C[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(O)(c2ccccc2)CC1 investigational Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12 ZINC000000006170 31/69/53/471316953 UTLPKQYUXOEJIL-UHFFFAOYSA-N 0 345.366 EF 2.559 0 Anodyne ref EFAARN Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12 investigational CC(=O)CC(=O)Nc1cc(Cl)c(NC(=O)CC(C)=O)cc1Cl ZINC000001655590 77/62/86/209776286 UTAJOMREBNYBAJ-UHFFFAOYSA-N 0 345.182 EF 2.829 0 Anodyne ref EFABRN CC(=O)CC(=O)Nc1cc(Cl)c(NC(=O)CC(C)=O)cc1Cl CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001718373 39/62/53/471396253 HDAMOICMOAXFLJ-UHFFFAOYSA-N 1 342.459 EF 2.952 0 Bother ref EFBARO CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 in-man CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000001725698 39/69/93/471396993 WNFXUXZJJKTDOZ-OAHLLOKOSA-N -1 330.336 EF 2.691 3 Mild high EFEAHM CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O in-vitro biogenic CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000001725698 39/69/87/471396987 WNFXUXZJJKTDOZ-OAHLLOKOSA-N -1 330.336 EF 2.691 3 Mild high EFEAHM CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O in-vitro biogenic CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000001725698 39/69/78/471396978 WNFXUXZJJKTDOZ-OAHLLOKOSA-N -1 330.336 EF 2.691 0 Mild ref EFEARM CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O in-vitro biogenic CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001734034 39/65/18/471396518 IVQOFBKHQCTVQV-UHFFFAOYSA-N 0 327.424 EF 2.808 3 Anodyne high EFAAHN CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 investigational CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001734034 39/65/06/471396506 IVQOFBKHQCTVQV-UHFFFAOYSA-N 0 327.424 EF 2.808 0 Anodyne ref EFAARN CC[NH+](CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 investigational C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1 ZINC000001841098 39/93/66/471399366 GRPURDFRFHUDSP-UHFFFAOYSA-N 0 330.336 EF 2.715 0 Mild ref EFEARN C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1 Sc1nnc(SCCSc2nnc(S)s2)s1 ZINC000002243848 84/93/40/304849340 PVMJDOURKFUWGA-UHFFFAOYSA-N 0 326.544 EF 2.851 2 Anodyne low EFAALN S=c1[nH]nc(SCCSc2n[nH]c(=S)s2)s1 Sc1nnc(SCCSc2nnc(S)s2)s1 ZINC000002243848 84/93/38/304849338 PVMJDOURKFUWGA-UHFFFAOYSA-N -1 326.544 EF 2.851 1 Anodyne mid EFAAMM S=c1[n-]nc(SCCSc2n[nH]c(=S)s2)s1 Sc1nnc(SCCSc2nnc(S)s2)s1 ZINC000002243848 84/93/34/304849334 PVMJDOURKFUWGA-UHFFFAOYSA-N -2 326.544 EF 2.851 0 Anodyne ref EFAARL S=c1[n-]nc(SCCSc2n[n-]c(=S)s2)s1 COC(=O)c1cc(Br)ccc1I ZINC000002516934 40/97/89/471409789 CJRHLSZJEFJDLA-UHFFFAOYSA-N 0 340.942 EF 2.84 0 Anodyne ref EFAARN COC(=O)c1cc(Br)ccc1I Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1 ZINC000002570817 41/10/83/471411083 ZBPLOVFIXSTCRZ-UHFFFAOYSA-N -1 334.169 EF 2.889 0 Anodyne ref EFAARM Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1 fda CCOC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000004287569 16/21/89/210162189 XSXVOVXVHBSSSN-UHFFFAOYSA-N 0 326.418 EF 2.8 0 Anodyne ref EFAARN CCOC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2 COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693574 24/97/19/210249719 SUBDBMMJDZJVOS-DEOSSOPVSA-N 0 345.424 EF 2.9 1 Anodyne mid EFAAMN COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 fda biogenic COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693574 24/97/15/210249715 SUBDBMMJDZJVOS-DEOSSOPVSA-N 0 345.424 EF 2.9 0 Anodyne ref EFAARN COc1ccc2[nH]c([S@](=O)Cc3ncc(C)c(OC)c3C)nc2c1 fda biogenic COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693575 24/94/51/210249451 SUBDBMMJDZJVOS-XMMPIXPASA-N 0 345.424 EF 2.9 1 Anodyne mid EFAAMN COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 fda COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 ZINC000004693575 24/94/47/210249447 SUBDBMMJDZJVOS-XMMPIXPASA-N 0 345.424 EF 2.9 0 Anodyne ref EFAARN COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1 fda CN(C)CCC[C@@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO ZINC000005046720 37/43/55/210374355 GNULRNVWXYXBQY-HXUWFJFHSA-N 1 342.414 EF 2.767 0 Mild ref EFEARO C[NH+](C)CCC[C@@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO ZINC000005046721 08/77/28/282087728 GNULRNVWXYXBQY-FQEVSTJZSA-N 1 342.414 EF 2.767 0 Mild ref EFEARO C[NH+](C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC ZINC000006018691 52/96/12/471529612 DRRWBCNQOKKKOL-UHFFFAOYSA-N -2 344.319 EF 2.897 3 Anodyne high EFAAHL COc1ccc(-c2cc(=O)c3c([O-])c(OC)c([O-])cc3o2)cc1OC in-man endogenous COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC ZINC000006018691 52/96/08/471529608 DRRWBCNQOKKKOL-UHFFFAOYSA-N 0 344.319 EF 2.897 1 Anodyne mid EFAAMN COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC in-man endogenous COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC ZINC000006018691 52/96/05/471529605 DRRWBCNQOKKKOL-UHFFFAOYSA-N -1 344.319 EF 2.897 0 Anodyne ref EFAARM COc1ccc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)cc1OC in-man endogenous COc1cccc(CCc2ccccc2OC[C@@H](O)CN(C)C)c1 ZINC000013890091 84/50/62/471845062 VNRNJNRVACIMAP-SFHVURJKSA-N 0 329.44 EF 2.782 3 Anodyne high EFAAHN COc1cccc(CCc2ccccc2OC[C@@H](O)CN(C)C)c1 COc1cccc(CCc2ccccc2OC[C@@H](O)CN(C)C)c1 ZINC000013890091 84/50/50/471845050 VNRNJNRVACIMAP-SFHVURJKSA-N 1 329.44 EF 2.782 0 Anodyne ref EFAARO COc1cccc(CCc2ccccc2OC[C@@H](O)C[NH+](C)C)c1 COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O ZINC000014779854 87/82/88/471878288 GLAAQZFBFGEBPS-UHFFFAOYSA-N -2 330.292 EF 2.594 3 Anodyne high EFAAHL COc1cc(-c2cc(=O)c3c([O-])c(OC)c([O-])cc3o2)ccc1O in-vitro biogenic COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O ZINC000014779854 87/82/82/471878282 GLAAQZFBFGEBPS-UHFFFAOYSA-N 0 330.292 EF 2.594 1 Anodyne mid EFAAMN COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O in-vitro biogenic COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O ZINC000014779854 87/82/78/471878278 GLAAQZFBFGEBPS-UHFFFAOYSA-N -1 330.292 EF 2.594 0 Anodyne ref EFAARM COc1cc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)ccc1O in-vitro biogenic CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000022053590 27/44/43/212274443 NVEPLQDORJSXRO-DLBZAZTESA-N 1 336.476 EF 2.729 0 Anodyne ref EFAARO CC(C)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C in-vitro CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C ZINC000026892125 14/93/63/202149363 XPOFTPYDSZJRKX-VOVZHTNUSA-N 0 344.451 EF 2.826 0 Mild ref EFEBRN CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C2=O ZINC000026896099 14/85/71/202148571 NQUQKYBHLOZWLJ-IYBDPMFKSA-N 0 330.428 EF 2.554 1 Anodyne mid EFAAMN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C2=O CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C2=O ZINC000026896099 14/85/69/202148569 NQUQKYBHLOZWLJ-IYBDPMFKSA-N 1 330.428 EF 2.554 1 Anodyne mid EFAAMO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C1)C2=O CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C2=O ZINC000026896099 14/85/64/202148564 NQUQKYBHLOZWLJ-IYBDPMFKSA-N 1 330.428 EF 2.554 0 Anodyne ref EFAARO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C1)C2=O O=[N+]([O-])c1cc(Br)ccc1I ZINC000028278313 08/25/32/285082532 XLUAZLDTZYHVSO-UHFFFAOYSA-N 0 327.903 EF 2.962 0 Bother ref EFBARN O=[N+]([O-])c1cc(Br)ccc1I Nc1c(I)cc(Br)cc1[N+](=O)[O-] ZINC000038540927 69/50/80/279695080 CUVSESOKQSEEHQ-UHFFFAOYSA-N 0 342.918 EF 2.544 0 Bother ref EFBARN Nc1c(I)cc(Br)cc1[N+](=O)[O-] O=[N+]([O-])c1cc(Br)cc(I)c1 ZINC000038540929 35/56/36/280355636 KHHGBDKCMRQYQX-UHFFFAOYSA-N 0 327.903 EF 2.962 0 Bother ref EFBARN O=[N+]([O-])c1cc(Br)cc(I)c1 O=C(O)c1c(Br)sc(Br)c1C(=O)O ZINC000039296317 21/68/02/304216802 ZZYYIZHQMCEKLG-UHFFFAOYSA-N -2 329.953 EF 2.67 0 Anodyne ref EFAARL O=C([O-])c1c(Br)sc(Br)c1C(=O)[O-] CC(C)(C)OC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1 ZINC000040448403 30/49/09/213304909 WZXFCLVBUXTWRS-UHFFFAOYSA-N 0 334.416 EF 2.631 0 Anodyne ref EFAARN CC(C)(C)OC(=O)NC1(C(=O)[O-])CC[NH+](Cc2ccccc2)CC1 CC(C)(C)OC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1 ZINC000040448403 30/49/14/213304914 WZXFCLVBUXTWRS-UHFFFAOYSA-N -1 334.416 EF 2.631 3 Anodyne high EFAAHM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCN(Cc2ccccc2)CC1 CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000051943357 38/34/40/278383440 FDYMBJJXDJNNJU-UHFFFAOYSA-N -1 346.383 EF 2.606 0 Anodyne ref EFAARM CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)[O-])cc12 CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 ZINC000051951670 07/32/14/473073214 GOVYBPLHWIEHEJ-UHFFFAOYSA-N 1 335.407 EF 2.797 1 Mild mid EFEAMO C[N@H+]1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 in-vitro CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 ZINC000051951670 07/32/06/473073206 GOVYBPLHWIEHEJ-UHFFFAOYSA-N 1 335.407 EF 2.797 1 Mild mid EFEAMO C[N@@H+]1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 in-vitro CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 ZINC000051951670 07/31/91/473073191 GOVYBPLHWIEHEJ-UHFFFAOYSA-N 0 335.407 EF 2.797 0 Mild ref EFEARN CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 in-vitro COC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000072232899 07/43/43/216074343 CCBUXFPOABQLFL-UHFFFAOYSA-N 0 331.28 EF 2.96 0 Bother ref EFBARN COC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)OC C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1C2=O)[C@H]1C[C@H]1[C@]1(O)C[C@@H](O)CC[C@]31C ZINC000072399748 21/33/28/203213328 GWUFXQIQXPASJU-VJWUOOCFSA-N 0 330.468 EF 2.786 0 Anodyne ref EFAARN C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1C2=O)[C@H]1C[C@H]1[C@]1(O)C[C@@H](O)CC[C@]31C C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O ZINC000072399749 19/29/43/216192943 GWUFXQIQXPASJU-RUOXLJDCSA-N 0 330.468 EF 2.786 0 Anodyne ref EFABRN C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1 ZINC000082048844 28/66/19/473286619 RXWUUFACDXGVIO-UHFFFAOYSA-N 0 345.399 EF 2.589 0 Anodyne ref EFAARN CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1 OC(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F ZINC000095682114 55/81/49/544558149 GKDCWKGUOZVDFX-UHFFFAOYSA-N 0 334.056 EF 2.698 2 Mild low EFEALN OC(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F OC(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F ZINC000095682114 55/81/46/544558146 GKDCWKGUOZVDFX-UHFFFAOYSA-N 0 334.056 EF 2.698 1 Mild mid EFEAMN [O-]C(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F OC(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F ZINC000095682114 55/81/36/544558136 GKDCWKGUOZVDFX-UHFFFAOYSA-N -1 334.056 EF 2.698 0 Mild ref EFEARM [O-]C(C(F)(F)F)(C(F)(F)F)C([O-])(C(F)(F)F)C(F)(F)F Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000097814002 05/84/73/219058473 CIJVXSIRUQCTBV-UHFFFAOYSA-N 0 346.39 EF 2.928 2 Anodyne low EFAALN Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000097814002 05/84/70/219058470 CIJVXSIRUQCTBV-UHFFFAOYSA-N -1 346.39 EF 2.928 1 Anodyne mid EFAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O Cc1[nH]n(-c2ccccc2)c(=O)c1-c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000097814002 05/84/66/219058466 CIJVXSIRUQCTBV-UHFFFAOYSA-N -2 346.39 EF 2.928 0 Anodyne ref EFAARL Cc1[n-]n(-c2ccccc2)c(=O)c1-c1c(C)[n-]n(-c2ccccc2)c1=O Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1 ZINC000098086055 08/13/38/219081338 RJUDFXSDFVPVDV-UHFFFAOYSA-N 1 334.383 EF 2.945 1 Anodyne mid EFABMO Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)[nH+]1 Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1 ZINC000098086055 08/13/35/219081335 RJUDFXSDFVPVDV-UHFFFAOYSA-N 0 334.383 EF 2.945 0 Anodyne ref EFABRN Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1