O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 ZINC000000538483 49/52/47/527495247 PHLBKPHSAVXXEF-UHFFFAOYSA-N 1 371.872 FE 2.362 1 Anodyne mid FEAAMO O=c1n(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 fda O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 ZINC000000538483 49/52/31/527495231 PHLBKPHSAVXXEF-UHFFFAOYSA-N 0 371.872 FE 2.362 0 Anodyne ref FEAARN O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 fda CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000000597112 69/73/07/521697307 SPFYMRJSYKOXGV-UHFFFAOYSA-N 0 359.401 FE 2.316 2 Anodyne low FEAALN CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 investigational endogenous CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000000597112 69/73/02/521697302 SPFYMRJSYKOXGV-UHFFFAOYSA-N -1 359.401 FE 2.316 0 Anodyne ref FEAARM CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1 investigational endogenous CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CNC(C)(C)C)c1 ZINC000000597556 30/49/47/219304947 ANZXOIAKUNOVQU-HNNXBMFYSA-N 1 367.446 FE 2.229 0 Anodyne ref FEAARO CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)C[NH2+]C(C)(C)C)c1 world C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000000601305 33/16/31/539331631 NDDAHWYSQHTHNT-JTQLQIEISA-N 0 365.842 FE 2.083 0 Anodyne ref FEAARN C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 fda C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000603195 43/56/68/524435668 JYJTVFIEFKZWCJ-JTQLQIEISA-N 0 360.385 FE 2.307 2 Anodyne low FEAALN C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 world C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000603195 43/56/55/524435655 JYJTVFIEFKZWCJ-JTQLQIEISA-N -1 360.385 FE 2.307 0 Anodyne ref FEAARM C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 world CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000000607798 30/57/44/219305744 QMLVECGLEOSESV-RYUDHWBXSA-N 0 357.385 FE 2.066 2 Anodyne low FEAALN C[N@H+]1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 investigational CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000000607798 30/57/40/219305740 QMLVECGLEOSESV-RYUDHWBXSA-N 0 357.385 FE 2.066 2 Anodyne low FEAALN C[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 investigational CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000000607798 30/57/37/219305737 QMLVECGLEOSESV-RYUDHWBXSA-N -1 357.385 FE 2.066 0 Anodyne ref FEAARM CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1 investigational C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000000643114 33/14/98/539331498 NDDAHWYSQHTHNT-SNVBAGLBSA-N 0 365.842 FE 2.083 0 Anodyne ref FEAARN C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 fda CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968328 33/61/94/539336194 YASAKCUCGLMORW-HNNXBMFYSA-N 1 357.435 FE 2.491 2 Anodyne low FEAALO CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1 fda CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968328 33/61/90/539336190 YASAKCUCGLMORW-HNNXBMFYSA-N -1 357.435 FE 2.491 0 Anodyne ref FEAARM CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1 fda CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968330 34/80/94/219348094 YASAKCUCGLMORW-OAHLLOKOSA-N 1 357.435 FE 2.491 2 Anodyne low FEAALO CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1 fda CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1 ZINC000000968330 34/80/89/219348089 YASAKCUCGLMORW-OAHLLOKOSA-N -1 357.435 FE 2.491 0 Anodyne ref FEAARM CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1 fda N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000001278767 86/00/46/203860046 QGPKADBNRMWEQR-MRVPVSSYSA-N 0 365.792 FE 2.364 0 Anodyne ref FEAARN [NH3+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 in-man COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 ZINC000001891034 34/37/30/539343730 ZPMNHBXQOOVQJL-UHFFFAOYSA-N 0 367.877 FE 2.088 3 Anodyne high FEAAHN COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 world biogenic COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 ZINC000001891034 34/37/22/539343722 ZPMNHBXQOOVQJL-UHFFFAOYSA-N 1 367.877 FE 2.088 0 Anodyne ref FEAARO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 world biogenic CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNC(C)(C)C)c1 ZINC000002021931 02/37/05/204023705 ANZXOIAKUNOVQU-OAHLLOKOSA-N 1 367.446 FE 2.229 0 Anodyne ref FEAARO CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)C[NH2+]C(C)(C)C)c1 world O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1 ZINC000002526465 34/86/84/539348684 PQCXVIPXISBFPN-UHFFFAOYSA-N -1 359.725 FE 2.433 3 Bother high FEBAHM O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc([O-])c(Cl)c1 in-vivo O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1 ZINC000002526465 34/86/76/539348676 PQCXVIPXISBFPN-UHFFFAOYSA-N 0 359.725 FE 2.433 0 Bother ref FEBARN O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1 in-vivo CCn1cc(NC(=S)Nc2cc(Cl)ccc2OC)c(C(N)=O)n1 ZINC000002855034 06/37/37/204063737 PCHRYHSDDPPZBV-UHFFFAOYSA-N 0 353.835 FE 2.473 0 Anodyne ref FEAARN CCn1cc(NC(=S)Nc2cc(Cl)ccc2OC)c(C(N)=O)n1 CN(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000002957471 35/69/88/539356988 BXYDVWIAGDJBEC-UHFFFAOYSA-N 0 360.417 FE 2.292 3 Bother high FEBAHN CN(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 in-vitro CN(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000002957471 35/69/84/539356984 BXYDVWIAGDJBEC-UHFFFAOYSA-N 1 360.417 FE 2.292 0 Bother ref FEBARO C[NH+](C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 in-vitro C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000003794622 38/57/84/132385784 JYJTVFIEFKZWCJ-SNVBAGLBSA-N 0 360.385 FE 2.307 2 Anodyne low FEAALN C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 world C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000003794622 38/57/83/132385783 JYJTVFIEFKZWCJ-SNVBAGLBSA-N -1 360.385 FE 2.307 0 Anodyne ref FEAARM C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 world CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O ZINC000003812842 37/34/74/539373474 TYNLGDBUJLVSMA-UHFFFAOYSA-N -1 368.297 FE 2.011 0 Clean ref FECARM CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)[O-])cc1C2=O world biogenic N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000003882444 37/36/02/539373602 QGPKADBNRMWEQR-QMMMGPOBSA-N 0 365.792 FE 2.364 0 Anodyne ref FEAARN [NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 in-man C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO ZINC000004216862 12/69/11/204126911 PIDANAQULIKBQS-RNUIGHNZSA-N 0 372.461 FE 2.012 0 Mild ref FEEARN C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO in-man CCOC(=O)COc1ccc(/C=C2\SC(=S)NC2=O)cc1OC ZINC000012413404 55/84/06/539558406 QHPJWPQRZMBKTG-GHXNOFRVSA-N -1 353.421 FE 2.126 1 Clean mid FECAMM CCOC(=O)COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC CCOC(=O)COc1ccc(/C=C2\SC(=S)NC2=O)cc1OC ZINC000012413404 55/83/98/539558398 QHPJWPQRZMBKTG-GHXNOFRVSA-N 0 353.421 FE 2.126 0 Clean ref FECARN CCOC(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1OC O=C1C=CC=C/C1=C1\N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 ZINC000014880008 60/70/65/539607065 FMSOAWSKCWYLBB-VBGLAJCLSA-N -1 373.368 FE 2.112 3 Mild high FEEAHM O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)[O-])cc2)N1 in-vitro O=C1C=CC=C/C1=C1\N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 ZINC000014880008 60/70/59/539607059 FMSOAWSKCWYLBB-VBGLAJCLSA-N 0 373.368 FE 2.112 0 Mild ref FEEARN O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)[O-])cc2)[NH2+]1 in-vitro O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1 ZINC000043199965 09/34/96/540093496 JJZFWROHYSMCMU-UHFFFAOYSA-N 0 353.447 FE 2.477 3 Anodyne high FEAAHN O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1 investigational O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1 ZINC000043199965 09/34/94/540093494 JJZFWROHYSMCMU-UHFFFAOYSA-N 1 353.447 FE 2.477 0 Anodyne ref FEAARO O=S(=O)(c1ccccc1)c1cnc2c(N3CC[NH2+]CC3)cccc2c1 investigational CN1/C(=C(/O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O ZINC000049089868 16/90/07/205169007 OXROWJKCGCOJDO-JLHYYAGUSA-N 0 371.827 FE 2.453 1 Mild mid FEEAMN CN1C(=C(O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O world CN1/C(=C(/O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O ZINC000049089868 16/90/02/205169002 OXROWJKCGCOJDO-JLHYYAGUSA-N -1 371.827 FE 2.453 1 Mild mid FEEAMM CN1C(=C([O-])Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O world CN1/C(=C(/O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O ZINC000049089868 16/89/98/205168998 OXROWJKCGCOJDO-JLHYYAGUSA-N -1 371.827 FE 2.453 0 Mild ref FEEARM CN1C(C(=O)Nc2ccccn2)=C([O-])c2sc(Cl)cc2S1(=O)=O world CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C ZINC000052509437 46/94/88/540469488 HUXYBQXJVXOMKX-UHFFFAOYSA-N 0 361.49 FE 2.313 3 Anodyne high FEAAHN CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C investigational CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C ZINC000052509437 46/94/85/540469485 HUXYBQXJVXOMKX-UHFFFAOYSA-N 1 361.49 FE 2.313 0 Anodyne ref FEAARO CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CC[NH+](C)CC1)C2(C)C investigational CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 ZINC000068244543 56/79/18/541567918 DUIHHZKTCSNTGM-UHFFFAOYSA-N 0 368.418 FE 2.382 0 Anodyne ref FEAARN CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 in-vivo O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S ZINC000072414735 80/81/33/541808133 VISHSGZPGQKEFX-KHPPLWFESA-N -1 368.823 FE 2.338 0 Clean ref FECARM O=C([O-])CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S in-vitro Cc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 ZINC000075629585 19/32/56/542193256 FUYRBZDWGXUBRC-UHFFFAOYSA-N 1 361.833 FE 2.106 1 Anodyne mid FEAAMO Cc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CC[NH2+]CC1 Cc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 ZINC000075629585 19/32/53/542193253 FUYRBZDWGXUBRC-UHFFFAOYSA-N 1 361.833 FE 2.106 0 Anodyne ref FEAARO Cc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CC[NH2+]CC1 CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O ZINC000100015491 23/11/73/222231173 WLHQHAUOOXYABV-UHFFFAOYSA-N -1 371.827 FE 2.296 0 Anodyne ref FEAARM CN1C(C(=O)Nc2ccccn2)=C([O-])c2sc(Cl)cc2S1(=O)=O world O=C1C=CC=C/C1=C1/N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 ZINC000100022643 22/20/48/206222048 FMSOAWSKCWYLBB-MXWIWYRXSA-N -1 373.368 FE 2.112 3 Mild high FEEAHM O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)[O-])cc2)N1 O=C1C=CC=C/C1=C1/N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1 ZINC000100022643 22/20/43/206222043 FMSOAWSKCWYLBB-MXWIWYRXSA-N 0 373.368 FE 2.112 0 Mild ref FEEARN O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)[O-])cc2)[NH2+]1 Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1 ZINC000146965425 44/33/15/544443315 BLGWHBSBBJNKJO-UHFFFAOYSA-N 0 363.377 FE 2.197 0 Anodyne ref FEAARN Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1 in-vitro C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO ZINC000245219498 90/11/27/548901127 PIDANAQULIKBQS-DICWAVDUSA-N 0 372.461 FE 2.012 0 Mild ref FEEARN C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO ZINC000245219499 90/11/46/548901146 PIDANAQULIKBQS-OMRWIHGPSA-N 0 372.461 FE 2.012 0 Mild ref FEEARN C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)CO ZINC000253617861 69/93/87/549699387 PIDANAQULIKBQS-PFLJPKCCSA-N 0 372.461 FE 2.012 0 Mild ref FEEARN C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)CO C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)CO ZINC000253617862 69/91/76/549699176 PIDANAQULIKBQS-SHNHDPNUSA-N 0 372.461 FE 2.012 0 Mild ref FEEARN C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]2(C)[C@]1(O)C(=O)CO CCCC[N@@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000256918498 71/08/48/549710848 YBCNXCRZPWQOBR-FDVKURQKSA-N 1 360.474 FE 2.233 0 Bother ref FEBERO CCCC[N@@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 CCCC[N@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 ZINC000256918501 71/07/32/549710732 YBCNXCRZPWQOBR-VRJKEZBZSA-N 1 360.474 FE 2.233 0 Bother ref FEBERO CCCC[N@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21