C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000537891 16/04/76/525160476 GSDSWSVVBLHKDQ-SNVBAGLBSA-N 0 361.373 FD 1.544 2 Anodyne low FDAALN C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 fda C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000537891 16/04/56/525160456 GSDSWSVVBLHKDQ-SNVBAGLBSA-N -1 361.373 FD 1.544 0 Anodyne ref FDAARM C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 fda C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000538273 74/62/94/524746294 GSDSWSVVBLHKDQ-JTQLQIEISA-N 0 361.373 FD 1.544 2 Anodyne low FDAALN C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 fda C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000538273 74/62/74/524746274 GSDSWSVVBLHKDQ-JTQLQIEISA-N -1 361.373 FD 1.544 0 Anodyne ref FDAARM C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23 fda CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1 ZINC000000538328 92/24/40/523922440 NJCJBUHJQLFDSW-UHFFFAOYSA-N 0 363.414 FD 1.696 2 Anodyne low FDAALN C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2SCC4)CC1 world CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1 ZINC000000538328 92/24/28/523922428 NJCJBUHJQLFDSW-UHFFFAOYSA-N -1 363.414 FD 1.696 0 Anodyne ref FDAARM CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2SCC4)CC1 world CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000000601255 21/66/89/518216689 NTJOBXMMWNYJFB-GFCCVEGCSA-N 1 369.487 FD 1.285 1 Anodyne mid FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC world CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000000601255 21/66/84/518216684 NTJOBXMMWNYJFB-GFCCVEGCSA-N 1 369.487 FD 1.285 1 Anodyne mid FDAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC world CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000000601255 21/66/74/518216674 NTJOBXMMWNYJFB-GFCCVEGCSA-N 0 369.487 FD 1.285 0 Anodyne ref FDAARN CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC world CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 ZINC000000629828 25/37/90/210253790 FBRYNDBSABMBDI-INIZCTEOSA-N -1 362.407 FD 1.619 0 Anodyne ref FDAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(=O)c1ccccc1 ZINC000000633346 21/60/57/518216057 MDRUDFVHNBRYOO-UHFFFAOYSA-N 0 363.171 FD 1.069 0 Anodyne ref FDAARN Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(=O)c1ccccc1 CC1(C)S[C@@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)O ZINC000000800350 27/18/45/210271845 YLGIIVBDSLVWDR-DZSWIPIPSA-N -1 359.039 FD 1.619 0 Anodyne ref FDAARM CC1(C)S[C@@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)[O-] CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)O ZINC000000800351 27/25/89/210272589 YLGIIVBDSLVWDR-BBIVZNJYSA-N -1 359.039 FD 1.619 0 Anodyne ref FDAARM CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)[O-] CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000001846088 02/11/19/204021119 NTJOBXMMWNYJFB-LBPRGKRZSA-N 1 369.487 FD 1.285 1 Anodyne mid FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC world CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000001846088 02/11/15/204021115 NTJOBXMMWNYJFB-LBPRGKRZSA-N 1 369.487 FD 1.285 1 Anodyne mid FDAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC world CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000001846088 02/11/10/204021110 NTJOBXMMWNYJFB-LBPRGKRZSA-N 0 369.487 FD 1.285 0 Anodyne ref FDAARN CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC world CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)O ZINC000002097069 23/59/68/518235968 OQKPFTGTVANENL-XQQFMLRXSA-N -1 365.455 FD 1.183 0 Anodyne ref FDABRM CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)[O-] CC[C@@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)OC ZINC000002097894 23/59/79/518235979 BBBLNHXITNZBEV-OEUWWYETSA-N 0 361.442 FD 1.565 0 Anodyne ref FDAARN CC[C@@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)OC COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000002107556 42/76/28/219427628 UBGWGSLTOWNMSA-ZNMIVQPWSA-N 0 361.442 FD 1.565 0 Anodyne ref FDAARN COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=O)CC2)cc1 ZINC000002423227 70/26/14/536702614 IDBANIMZRNPOOM-UHFFFAOYSA-N 0 364.405 FD 1.842 0 Clean ref FDCARN COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=O)CC2)cc1 COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1Cl ZINC000002553852 24/34/67/518243467 AFQKCAKHRSIRMH-GRHWWUNPSA-N -1 365.769 FD 1.728 0 Anodyne ref FDAARM COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1Cl C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000003833821 28/04/39/518280439 OIGNJSKKLXVSLS-VWUMJDOOSA-N 0 360.45 FD 1.558 0 Mild ref FDEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO fda C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000003875357 27/92/67/518279267 XOFYZVNMUHMLCC-ZPOLXVRWSA-N 0 358.434 FD 1.766 0 Mild ref FDEARN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO fda C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000003875560 27/92/22/518279222 VHRSUDSXCMQTMA-PJHHCJLFSA-N 0 374.477 FD 1.804 0 Mild ref FDEARN C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 fda biogenic C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CC(=O)O)O2 ZINC000003881686 27/91/91/518279191 VKNLNUXZCWSEOI-QQOBTVJVSA-N -1 370.486 FD 1.947 0 Anodyne ref FDAARM C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CC(=O)[O-])O2 C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CC(=O)O)O2 ZINC000003881687 27/93/42/518279342 VKNLNUXZCWSEOI-TYOHIEAGSA-N -1 370.486 FD 1.947 0 Anodyne ref FDAARM C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CC(=O)[O-])O2 C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 ZINC000003881717 79/98/14/206799814 XYPPDQHBNJURHU-IPOQXWOTSA-N 0 356.503 FD 1.855 0 Anodyne ref FDAARN C[C@@H]1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 in-vitro C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 ZINC000003881718 27/93/87/518279387 XYPPDQHBNJURHU-LFGUEBOJSA-N 0 356.503 FD 1.855 0 Anodyne ref FDAARN C[C@@H]1CC[C@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@@]12CC[C@@](CO)(CCO)O2 in-vitro CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)O ZINC000003881755 27/99/78/518279978 OQKPFTGTVANENL-AGIUHOORSA-N -1 365.455 FD 1.183 0 Anodyne ref FDAARM CSCC[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)[O-] C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000003881797 28/01/74/518280174 BOJKULTULYSRAS-OTESTREVSA-N 0 350.455 FD 1.963 0 Mild ref FDEARN C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O investigational biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000003881799 28/03/75/518280375 BOJKULTULYSRAS-NPWGMBKGSA-N 0 350.455 FD 1.963 0 Mild ref FDEARN C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O in-vitro biogenic COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1OC ZINC000003881893 27/98/29/518279829 FVDHBXQOSUJIFW-PSFFPDNBSA-N -1 359.378 FD 1.113 0 Anodyne ref FDAARM COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1OC COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1OC ZINC000003881894 28/02/62/518280262 FVDHBXQOSUJIFW-NVQRDWNXSA-N -1 359.378 FD 1.113 0 Anodyne ref FDAARM COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1OC COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1OC ZINC000003881895 11/29/49/204112949 FVDHBXQOSUJIFW-FVQSIRDASA-N -1 359.378 FD 1.113 0 Anodyne ref FDAARM COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1OC COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1OC ZINC000003881896 52/79/95/219527995 FVDHBXQOSUJIFW-JNNRSPCRSA-N -1 359.378 FD 1.113 0 Anodyne ref FDAARM COc1ccc(CCN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1OC C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000003881944 28/02/01/518280201 VHRSUDSXCMQTMA-NMXVXXMGSA-N 0 374.477 FD 1.804 0 Anodyne ref FDAARN C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000003882450 28/02/83/518280283 AFQKCAKHRSIRMH-KEAXFYSCSA-N -1 365.769 FD 1.728 0 Anodyne ref FDAARM COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1Cl COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@@H]5C3=O)nc2c1 ZINC000003882695 27/91/41/518279141 ZTKYSQQEFVALOZ-HWAANXBSSA-N -1 358.375 FD 1.676 0 Anodyne ref FDAARM COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)[O-])[C@@H]5C3=O)nc2c1 COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)O)[C@@H]5C3=O)nc2c1 ZINC000003882696 28/01/37/518280137 ZTKYSQQEFVALOZ-CNEMSGBDSA-N -1 358.375 FD 1.676 0 Anodyne ref FDAARM COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)[O-])[C@@H]5C3=O)nc2c1 COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)O)[C@H]5C3=O)nc2c1 ZINC000003882697 27/94/68/518279468 ZTKYSQQEFVALOZ-FIHUPRISSA-N -1 358.375 FD 1.676 0 Anodyne ref FDAARM COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)[O-])[C@H]5C3=O)nc2c1 COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)O)[C@H]5C3=O)nc2c1 ZINC000003882698 28/01/48/518280148 ZTKYSQQEFVALOZ-MMPOEDRJSA-N -1 358.375 FD 1.676 0 Anodyne ref FDAARM COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)[O-])[C@H]5C3=O)nc2c1 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[C@]2(C)[C@@]1(O)C(=O)CO ZINC000003982461 28/25/47/518282547 GBDXNHBVYAMODG-HGBIFODKSA-N 0 372.461 FD 1.964 0 Mild ref FDEARN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[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@]34O[C@@H]4C[C@]2(C)[C@@]1(O)C(=O)CO ZINC000003982462 28/29/98/518282998 GBDXNHBVYAMODG-RABMAFIESA-N 0 372.461 FD 1.964 0 Anodyne ref FDAARN C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]34O[C@@H]4C[C@]2(C)[C@@]1(O)C(=O)CO C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000006507053 37/41/85/518374185 VHRSUDSXCMQTMA-IZBRYJPGSA-N 0 374.477 FD 1.804 0 Mild ref FDEARN C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000006576839 25/42/61/204254261 AFQKCAKHRSIRMH-IWCJZZDYSA-N -1 365.769 FD 1.728 0 Anodyne ref FDAARM COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1Cl CCn1cc(C(=O)N[C@H](C(=O)O)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000006645558 15/08/34/207150834 ILNIFRXBRZEREE-HNNXBMFYSA-N -1 360.366 FD 1.589 0 Anodyne ref FDAARM CCn1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c2cc3c(cc21)OCO3 CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)O ZINC000006645559 37/91/67/518379167 XYQCSTPSQQNGIA-HWPZZCPQSA-N -1 374.393 FD 1.979 0 Anodyne ref FDAARM CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)[O-] CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)c2cc3c(cc21)OCO3 ZINC000006645560 25/82/61/204258261 QSLIMKYPQSBREK-ZDUSSCGKSA-N -1 374.393 FD 1.979 0 Anodyne ref FDAARM CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)c2cc3c(cc21)OCO3 CC[C@@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)OC ZINC000011692309 57/03/26/518570326 BBBLNHXITNZBEV-WVZRYYJFSA-N 0 361.442 FD 1.565 0 Anodyne ref FDAARN CC[C@@H](C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)OC COc1ccc(CN2CCN(C(=O)CCC(=O)O)CC2)c(OC)c1OC ZINC000012243756 35/12/25/207351225 YTUVYIZKUXELSY-UHFFFAOYSA-N 0 366.414 FD 1.221 2 Anodyne low FDAALN COc1ccc(C[NH+]2CCN(C(=O)CCC(=O)[O-])CC2)c(OC)c1OC COc1ccc(CN2CCN(C(=O)CCC(=O)O)CC2)c(OC)c1OC ZINC000012243756 35/12/16/207351216 YTUVYIZKUXELSY-UHFFFAOYSA-N -1 366.414 FD 1.221 0 Anodyne ref FDAARM COc1ccc(CN2CCN(C(=O)CCC(=O)[O-])CC2)c(OC)c1OC CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)O ZINC000012895811 64/00/40/518640040 XYQCSTPSQQNGIA-QFYYESIMSA-N -1 374.393 FD 1.979 0 Anodyne ref FDAARM CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)[O-] Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 ZINC000013129998 02/53/05/211025305 ZRVUJXDFFKFLMG-UHFFFAOYSA-N -1 351.409 FD 1.951 0 Anodyne ref FDAARM Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1 fda C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000013540519 65/97/10/518659710 JYGXADMDTFJGBT-VWUMJDOOSA-N 0 362.466 FD 1.782 0 Mild ref FDEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO fda aggregator C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000015919773 73/80/55/518738055 VHRSUDSXCMQTMA-TXQDGASVSA-N 0 374.477 FD 1.804 0 Anodyne ref FDAARN C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000015953785 17/32/13/220173213 UBGWGSLTOWNMSA-ILXRZTDVSA-N 0 361.442 FD 1.565 0 Anodyne ref FDAARN COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000082169459 21/91/20/524219120 VHRSUDSXCMQTMA-FFIPGHCBSA-N 0 374.477 FD 1.804 0 Mild ref FDEBRN C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000082169460 21/90/84/524219084 VHRSUDSXCMQTMA-DHGPSHFASA-N 0 374.477 FD 1.804 0 Mild ref FDEBRN C[C@H]1C[C@@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@H]2[C@@]2(C)C=CC(=O)C=C12 COC(=O)C1(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CCCCC1 ZINC000085863635 37/20/99/524372099 RPSYAUPMUXVADA-CABCVRRESA-N 0 373.453 FD 1.853 0 Anodyne ref FDAARN COC(=O)C1(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CCCCC1 O=C(O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 ZINC000085863661 37/22/87/524372287 NYSPQRRENZKGJJ-XUWXXGDYSA-N -1 367.405 FD 1.803 0 Anodyne ref FDAARM O=C([O-])[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 O=C(NC1(C(=O)O)CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O ZINC000085863662 37/13/52/524371352 CVHPBMVWVNRGJY-KGLIPLIRSA-N -1 359.426 FD 1.764 0 Anodyne ref FDAARM O=C(NC1(C(=O)[O-])CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O COC(=O)C1(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCCCC1 ZINC000098063888 20/08/01/525200801 RPSYAUPMUXVADA-LSDHHAIUSA-N 0 373.453 FD 1.853 0 Anodyne ref FDAARN COC(=O)C1(NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCCCC1 O=C(NC1(C(=O)O)CCCCC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 ZINC000098063894 20/11/09/525201109 CVHPBMVWVNRGJY-UONOGXRCSA-N -1 359.426 FD 1.764 0 Anodyne ref FDAARM O=C(NC1(C(=O)[O-])CCCCC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)O)CC2)cc1 ZINC000100480061 21/43/69/525214369 NCCWJIKLDMTYLD-BETUJISGSA-N -1 354.428 FD 1.814 0 Anodyne ref FDAARM CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)cc1 O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 ZINC000100870003 25/55/83/222255583 YSWNWJUKLUOERO-MCYUEQNJSA-N -1 350.168 FD 1.82 0 Anodyne ref FDABRM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4Br)C(=O)[C@H]13)O2 O=C(O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 ZINC000108523498 41/95/58/222419558 NYSPQRRENZKGJJ-JOQOYGCGSA-N -1 367.405 FD 1.803 0 Anodyne ref FDABRM O=C([O-])[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)O)[C@H]21 ZINC000216626314 45/04/26/537450426 AGXGSNYQLWDOEM-KRWDZBQOSA-N -1 368.345 FD 1.903 0 Unstable ref FDIARM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)[O-])[C@H]21 COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)O)[C@@H]21 ZINC000216626368 45/07/95/537450795 AGXGSNYQLWDOEM-QGZVFWFLSA-N -1 368.345 FD 1.903 0 Unstable ref FDIARM COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)[O-])[C@@H]21 CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(N)c1 ZINC000216627256 42/58/63/535425863 TURXSYDYWDGFKA-HIFRSBDPSA-N 0 352.438 FD 1.804 0 Unstable ref FDIARN CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(N)c1 CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(N)c1 ZINC000217343927 42/53/61/535425361 TURXSYDYWDGFKA-DZGCQCFKSA-N 0 352.438 FD 1.804 0 Unstable ref FDIBRN CCNC(=O)c1ccc(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(N)c1 COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1Cl ZINC000217347246 75/83/64/206758364 AFQKCAKHRSIRMH-MJRMRKOOSA-N -1 365.769 FD 1.728 0 Unstable ref FDIARM COc1cc(OC)c(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1Cl CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)O)CC2)cc1 ZINC000239164889 64/43/00/537644300 NCCWJIKLDMTYLD-JOCQHMNTSA-N -1 354.428 FD 1.814 0 Anodyne ref FDAARM CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(=O)[O-])CC2)cc1 Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 ZINC000409413791 31/95/84/571319584 IYAWTWNQFMZVBU-AEVLCDIHSA-N 0 351.406 FD 1.68 2 Anodyne low FDAALN Nc1ccc2c(c1)C[C@@H](C(=O)[O-])[C@@H]1[C@H]3C[C@@H](C[N@H+]21)c1cccc(=O)n1C3 Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 ZINC000409413791 31/95/83/571319583 IYAWTWNQFMZVBU-AEVLCDIHSA-N 0 351.406 FD 1.68 2 Anodyne low FDAALN Nc1ccc2c(c1)C[C@@H](C(=O)[O-])[C@@H]1[C@H]3C[C@@H](C[N@@H+]21)c1cccc(=O)n1C3 Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 ZINC000409413791 31/95/82/571319582 IYAWTWNQFMZVBU-AEVLCDIHSA-N -1 351.406 FD 1.68 0 Anodyne ref FDAARM Nc1ccc2c(c1)C[C@@H](C(=O)[O-])[C@@H]1[C@H]3C[C@@H](CN21)c1cccc(=O)n1C3 Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O ZINC000524728977 28/15/09/571281509 NTHMIGJELLVDOS-GCYOBHRFSA-N 0 351.406 FD 1.68 2 Anodyne low FDAALN Nc1ccc2c(c1)C[C@@H](C(=O)[O-])[C@H]1[C@@H]3C[C@@H](Cn4c3cccc4=O)C[N@H+]21 Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O ZINC000524728977 28/15/07/571281507 NTHMIGJELLVDOS-GCYOBHRFSA-N 0 351.406 FD 1.68 2 Anodyne low FDAALN Nc1ccc2c(c1)C[C@@H](C(=O)[O-])[C@H]1[C@@H]3C[C@@H](Cn4c3cccc4=O)C[N@@H+]21 Nc1ccc2c(c1)C[C@@H](C(=O)O)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O ZINC000524728977 28/15/05/571281505 NTHMIGJELLVDOS-GCYOBHRFSA-N 0 351.406 FD 1.68 0 Anodyne ref FDAARN Nc1ccc2c(c1)C[C@@H](C(=O)[O-])[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O