COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC ZINC000000538509 30/87/63/206308763 FEZBIKUBAYAZIU-UHFFFAOYSA-N 0 388.464 GF 2.583 3 Anodyne high GFAAHN COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC fda COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC ZINC000000538509 30/87/59/206308759 FEZBIKUBAYAZIU-UHFFFAOYSA-N 1 388.464 GF 2.583 0 Anodyne ref GFAARO COc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc(OC)c1OC fda COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000001537496 33/23/16/209332316 SJDOMIRMMUGQQK-UHFFFAOYSA-N 0 393.487 GF 2.894 1 Anodyne mid GFAAMN COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 aggregator in-vivo COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000001537496 33/23/11/209332311 SJDOMIRMMUGQQK-UHFFFAOYSA-N 1 393.487 GF 2.894 0 Anodyne ref GFAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 aggregator in-vivo Cc1ccc(S(=O)(=O)OCCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001621818 38/67/15/206386715 ODVREDGIWSDQFD-UHFFFAOYSA-N 0 384.475 GF 2.804 0 Mild ref GFEARN Cc1ccc(S(=O)(=O)OCCCOS(=O)(=O)c2ccc(C)cc2)cc1 Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1 ZINC000001996784 26/19/74/212261974 PBAPPPCECJKMCM-IBGZPJMESA-N 1 396.516 GF 2.772 0 Anodyne ref GFAARO Nc1nc(CC(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cs1 fda N[C@@H](Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)O ZINC000002387178 18/69/75/560186975 SXQVOFSDWXYIRP-ZDUSSCGKSA-N 0 399.184 GF 2.744 0 Anodyne ref GFAARN [NH3+][C@@H](Cc1ccc(Oc2ccc(O)cc2)c(I)c1)C(=O)[O-] in-vitro CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 ZINC000003816310 70/10/31/570701031 PIQCTGMSNWUMAF-UHFFFAOYSA-N 0 392.438 GF 2.545 3 Anodyne high GFAAHN CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 investigational CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 ZINC000003816310 70/10/29/570701029 PIQCTGMSNWUMAF-UHFFFAOYSA-N 0 392.438 GF 2.545 1 Anodyne mid GFAAMN CN1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1 investigational CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 ZINC000003816310 70/10/27/570701027 PIQCTGMSNWUMAF-UHFFFAOYSA-N 1 392.438 GF 2.545 1 Anodyne mid GFAAMO C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 investigational CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 ZINC000003816310 70/10/22/570701022 PIQCTGMSNWUMAF-UHFFFAOYSA-N 1 392.438 GF 2.545 0 Anodyne ref GFAARO C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5c(F)cccc5[nH]c4=O)nc3c2)CC1 investigational CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1 ZINC000004099034 35/74/08/570357408 NOCJXYPHIIZEHN-UHFFFAOYSA-N 0 399.397 GF 2.719 2 Anodyne low GFAALN C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1 in-man CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1 ZINC000004099034 35/74/03/570357403 NOCJXYPHIIZEHN-UHFFFAOYSA-N -1 399.397 GF 2.719 0 Anodyne ref GFAARM CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1 in-man O=C(O)c1cn(C2CC2)c2c(F)c(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc2c1=O ZINC000005932777 20/37/77/560203777 WEXQOLCYKFJAJZ-ZUZCIYMTSA-N 0 389.402 GF 2.501 0 Anodyne ref GFAARN O=C([O-])c1cn(C2CC2)c2c(F)c(N3C[C@@H]4CCC[NH2+][C@@H]4C3)c(F)cc2c1=O in-vitro O=S(=O)(c1ccccn1)C(Br)(Br)Br ZINC000006088327 46/57/93/570465793 FRCQMXHPNJVPJC-UHFFFAOYSA-N 0 393.882 GF 2.651 0 Anodyne ref GFAARN O=S(=O)(c1ccccn1)C(Br)(Br)Br CC(C)(C)OC(=O)NC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 ZINC000012648497 69/47/95/570694795 BGRHKAAVXJAPGP-UHFFFAOYSA-N -1 378.425 GF 2.767 0 Anodyne ref GFAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCN(C(=O)OCc2ccccc2)CC1 OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000019632628 14/42/27/207144227 URKOMYMAXPYINW-UHFFFAOYSA-N 1 383.517 GF 2.856 1 Anodyne mid GFAAMO OCCOCC[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 fda OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000019632628 14/42/25/207144225 URKOMYMAXPYINW-UHFFFAOYSA-N 0 383.517 GF 2.856 0 Anodyne ref GFAARN OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 fda C[C@@H](c1ncnc(Cl)c1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000021298430 28/98/98/570289898 BQDLXFABVRRDFU-FVMDXXJSSA-N 0 383.761 GF 2.83 0 Anodyne ref GFAARN C[C@@H](c1ncnc(Cl)c1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F in-vitro C[C@H](c1ncnc(Cl)c1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000021298435 28/99/02/570289902 BQDLXFABVRRDFU-ABKXIKBNSA-N 0 383.761 GF 2.83 0 Anodyne ref GFAARN C[C@H](c1ncnc(Cl)c1F)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F in-vitro C[C@@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000021298440 37/99/65/210379965 BQDLXFABVRRDFU-XXFAHNHDSA-N 0 383.761 GF 2.83 0 Anodyne ref GFAARN C[C@@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F in-vitro C[C@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000021298447 22/81/92/207228192 BQDLXFABVRRDFU-JDNHERCYSA-N 0 383.761 GF 2.83 0 Anodyne ref GFAARN C[C@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F in-vitro CC(=O)O/N=C(\C(=O)Sc1nc2ccccc2s1)c1csc(N)n1 ZINC000021992463 54/95/57/221549557 YFYDYMYITUSDEE-WQRHYEAKSA-N 0 378.46 GF 2.921 0 Mild ref GFEARN CC(=O)O/N=C(\C(=O)Sc1nc2ccccc2s1)c1csc(N)n1 CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2[S@]1=O ZINC000021992703 98/98/97/570989897 AZIUCAWYSMPKQK-QMALHXIISA-N 0 383.469 GF 2.787 0 Anodyne ref GFAARN CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2[S@]1=O COC(=O)c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C ZINC000022016622 55/12/95/221551295 BYVHIGJQQZGFPU-UHFFFAOYSA-N 0 381.429 GF 2.589 0 Anodyne ref GFAARN COC(=O)c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C in-vitro CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2[S@@]1=O ZINC000034575448 79/93/92/221799392 AZIUCAWYSMPKQK-QZXAKIBKSA-N 0 383.469 GF 2.787 0 Anodyne ref GFAARN CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2[S@@]1=O CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 ZINC000040433930 60/30/86/570603086 AUTCQXVTOIJYOT-KKVJTYSWSA-N 0 399.488 GF 2.557 0 Anodyne ref GFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@]2(C(=O)O)C1 ZINC000040443106 87/36/01/570873601 DYRQRALIILPPRO-YWZLYKJASA-N -1 390.436 GF 2.577 0 Anodyne ref GFABRM CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@]2(C(=O)[O-])C1 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 ZINC000053064442 67/36/76/570673676 AYYCFGDXLUPJAQ-UHFFFAOYSA-N 1 385.508 GF 2.527 1 Anodyne mid GFAAMO COc1ccccc1N1CC[NH+](CCN2C(=O)CC3(CCCC3)CC2=O)CC1 in-vivo COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 ZINC000053064442 67/36/74/570673674 AYYCFGDXLUPJAQ-UHFFFAOYSA-N 0 385.508 GF 2.527 0 Anodyne ref GFAARN COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 in-vivo CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 ZINC000085210707 17/65/38/211176538 AUTCQXVTOIJYOT-AYWUYMJWSA-N 0 399.488 GF 2.557 0 Anodyne ref GFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](n2cc(F)c(N)nc2=O)CS1 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 ZINC000085210708 97/54/53/570975453 AUTCQXVTOIJYOT-VVFHAYQLSA-N 0 399.488 GF 2.557 0 Anodyne ref GFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 ZINC000085210709 97/55/57/570975557 AUTCQXVTOIJYOT-IVHFILHXSA-N 0 399.488 GF 2.557 0 Anodyne ref GFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1 CCOC(=O)c1cnc([S@](C)=O)nc1NCc1ccc(OC)c(Cl)c1 ZINC000095830665 36/11/77/222361177 HPWWGZRNBFATPZ-RUZDIDTESA-N 0 383.857 GF 2.665 0 Anodyne ref GFABRN CCOC(=O)c1cnc([S@](C)=O)nc1NCc1ccc(OC)c(Cl)c1 CCOC(=O)c1cnc([S@@](C)=O)nc1NCc1ccc(OC)c(Cl)c1 ZINC000095830666 36/11/15/222361115 HPWWGZRNBFATPZ-VWLOTQADSA-N 0 383.857 GF 2.665 0 Anodyne ref GFABRN CCOC(=O)c1cnc([S@@](C)=O)nc1NCc1ccc(OC)c(Cl)c1 CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](n2ccc(=N)nc2O)CS1 ZINC000334163727 04/32/46/212043246 QMYKWNYBSBURDT-KEDVTSPUSA-N 0 381.498 GF 2.66 0 Anodyne ref GFABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](n2ccc(N)nc2=O)CS1 CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H]1O[C@@H](n2ccc(=N)nc2O)CS1 ZINC000334163728 93/48/25/570934825 QMYKWNYBSBURDT-MQZQPLMUSA-N 0 381.498 GF 2.66 0 Anodyne ref GFABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H]1O[C@@H](n2ccc(N)nc2=O)CS1