Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C ZINC000001769096 25/62/00/212256200 AUNGANRZJHBGPY-OBJOEFQTSA-N 0 376.369 GA -1.724 2 Bother low GABALN Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C in-vitro Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C ZINC000001769096 25/61/95/212256195 AUNGANRZJHBGPY-OBJOEFQTSA-N 0 376.369 GA -1.724 0 Bother ref GABARN Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C in-vitro Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C ZINC000002036848 26/24/16/212262416 AUNGANRZJHBGPY-SCRDCRAPSA-N 0 376.369 GA -1.724 2 Bother low GABALN Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C fda endogenous Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C ZINC000002036848 26/24/10/212262410 AUNGANRZJHBGPY-SCRDCRAPSA-N -1 376.369 GA -1.724 0 Bother ref GABARM Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C fda endogenous Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C ZINC000003650334 01/70/75/204017075 AUNGANRZJHBGPY-SGMGOOAPSA-N 0 376.369 GA -1.724 2 Bother low GABALN Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C in-vitro Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C ZINC000003650334 01/70/71/204017071 AUNGANRZJHBGPY-SGMGOOAPSA-N -1 376.369 GA -1.724 0 Bother ref GABARM Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C in-vitro Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C ZINC000003831423 18/99/28/560189928 AUNGANRZJHBGPY-OUCADQQQSA-N 0 376.369 GA -1.724 2 Bother low GABALN Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C in-vitro Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C ZINC000003831423 18/99/25/560189925 AUNGANRZJHBGPY-OUCADQQQSA-N -1 376.369 GA -1.724 0 Bother ref GABARM Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12 ZINC000003882101 49/46/74/206494674 IBFYXTRXDNAPMM-BVTMAQQCSA-N 0 388.369 GA -2.229 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12 in-vitro biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C ZINC000003978792 02/28/13/204022813 AMBQHHVBBHTQBF-UOUCRYGSSA-N 0 390.385 GA -2.151 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C in-vitro biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@H]12 ZINC000004098356 68/10/75/220681075 HLXRWTJXGMHOFN-XJSNKYLASA-N 0 388.369 GA -1.943 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@H]12 in-vitro biogenic O=C(NCNC(=O)N[C@@H]1C(=O)NC(=O)N1CO)N[C@@H]1C(=O)NC(=O)N1CO ZINC000004213546 36/29/59/570362959 ZCTXEAQXZGPWFG-WHFBIAKZSA-N -2 388.297 GA -4.802 3 Anodyne high GAAAHL O=C(NCNC(=O)N[C@@H]1C(=O)[N-]C(=O)N1CO)N[C@@H]1C(=O)[N-]C(=O)N1CO in-man O=C(NCNC(=O)N[C@@H]1C(=O)NC(=O)N1CO)N[C@@H]1C(=O)NC(=O)N1CO ZINC000004213546 36/29/56/570362956 ZCTXEAQXZGPWFG-WHFBIAKZSA-N 0 388.297 GA -4.802 0 Anodyne ref GAAARN O=C(NCNC(=O)N[C@@H]1C(=O)NC(=O)N1CO)N[C@@H]1C(=O)NC(=O)N1CO in-man C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000004214738 35/95/35/525359535 MEFKEPWMEQBLKI-TYYLHDHTSA-O 1 399.453 GA -1.922 0 Mild ref GAEARO C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O world endogenous C[S@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000004228231 35/92/20/525359220 MEFKEPWMEQBLKI-FCKMPRQPSA-O 1 399.453 GA -1.922 0 Mild ref GAEARO C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O world endogenous O=C(NCNC(=O)N[C@H]1C(=O)NC(=O)N1CO)N[C@@H]1C(=O)NC(=O)N1CO ZINC000004245708 36/42/12/570364212 ZCTXEAQXZGPWFG-SYDPRGILSA-N -2 388.297 GA -4.802 3 Anodyne high GAAAHL O=C(NCNC(=O)N[C@H]1C(=O)[N-]C(=O)N1CO)N[C@@H]1C(=O)[N-]C(=O)N1CO in-man O=C(NCNC(=O)N[C@H]1C(=O)NC(=O)N1CO)N[C@@H]1C(=O)NC(=O)N1CO ZINC000004245708 36/42/10/570364210 ZCTXEAQXZGPWFG-SYDPRGILSA-N 0 388.297 GA -4.802 0 Anodyne ref GAAARN O=C(NCNC(=O)N[C@H]1C(=O)NC(=O)N1CO)N[C@@H]1C(=O)NC(=O)N1CO in-man O=C(NCNC(=O)N[C@H]1C(=O)NC(=O)N1CO)N[C@H]1C(=O)NC(=O)N1CO ZINC000004245710 36/41/31/570364131 ZCTXEAQXZGPWFG-RFZPGFLSSA-N -2 388.297 GA -4.802 3 Anodyne high GAAAHL O=C(NCNC(=O)N[C@H]1C(=O)[N-]C(=O)N1CO)N[C@H]1C(=O)[N-]C(=O)N1CO in-man O=C(NCNC(=O)N[C@H]1C(=O)NC(=O)N1CO)N[C@H]1C(=O)NC(=O)N1CO ZINC000004245710 36/41/22/570364122 ZCTXEAQXZGPWFG-RFZPGFLSSA-N 0 388.297 GA -4.802 0 Anodyne ref GAAARN O=C(NCNC(=O)N[C@H]1C(=O)NC(=O)N1CO)N[C@H]1C(=O)NC(=O)N1CO in-man OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl ZINC000004654665 09/33/93/291093393 BAQAVOSOZGMPRM-QBMZZYIRSA-N 0 397.635 GA -1.656 0 Reactive ref GAGARN OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl world CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)c3n2)c1 ZINC000011617063 87/66/64/209876664 LZPZPHGJDAGEJZ-QIPHIMSASA-N 0 390.36 GA -2.435 0 Anodyne ref GAAARN CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)c3n2)c1 in-vitro CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 ZINC000013818943 29/09/98/221290998 LZPZPHGJDAGEJZ-AKAIJSEGSA-N 0 390.36 GA -2.435 0 Anodyne ref GAAARN CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 fda O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O ZINC000019419017 24/84/98/210248498 QPCDCPDFJACHGM-UHFFFAOYSA-N -5 393.349 GA -2.685 3 Anodyne high GAAAHL O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-] fda O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O ZINC000019419017 24/84/95/210248495 QPCDCPDFJACHGM-UHFFFAOYSA-N -3 393.349 GA -2.685 2 Anodyne low GAAALL O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC[NH+](CC(=O)[O-])CC(=O)[O-] fda O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O ZINC000019419017 24/84/89/210248489 QPCDCPDFJACHGM-UHFFFAOYSA-N -4 393.349 GA -2.685 0 Anodyne ref GAAARL O=C([O-])CN(CC[NH+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-] fda CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 ZINC000065748602 13/51/58/222135158 LZPZPHGJDAGEJZ-DXPNZXDVSA-N 0 390.36 GA -2.435 0 Anodyne ref GAAARN CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@@H]4O)c3n2)c1 in-vitro OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl ZINC000072400512 41/65/99/574416599 BAQAVOSOZGMPRM-OAWSVRQRSA-N 0 397.635 GA -1.656 0 Reactive ref GAGARN OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl in-man endogenous CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1 ZINC000090697750 41/01/74/570410174 LZPZPHGJDAGEJZ-IEQSHNCZSA-N 0 390.36 GA -2.435 0 Anodyne ref GAABRN CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1 OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1Cl ZINC000097977802 41/71/90/574417190 BAQAVOSOZGMPRM-VIIFIRCHSA-N 0 397.635 GA -1.656 0 Reactive ref GAGARN OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1Cl in-man endogenous C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(=O)O ZINC000100042889 26/53/87/570265387 PVTHJAPFENJVNC-MHRBZPPQSA-N -1 379.366 GA -4.328 3 Anodyne high GAAAHM C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(=O)[O-] in-vitro C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(=O)O ZINC000100042889 26/53/85/570265385 PVTHJAPFENJVNC-MHRBZPPQSA-N 0 379.366 GA -4.328 0 Anodyne ref GAAARN C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]([NH3+])C[C@@H]1NC(=N)C(=O)[O-] in-vitro OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1Cl ZINC000141390521 85/07/05/571850705 BAQAVOSOZGMPRM-IJVVWVSMSA-N 0 397.635 GA -1.656 0 Reactive ref GAGARN OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1Cl in-man endogenous C[C@@H]1O[C@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](N)C[C@@H]1/N=C(\N)C(=O)O ZINC000210450713 89/92/74/570899274 PVTHJAPFENJVNC-YUYJBMQVSA-N -1 379.366 GA -4.538 3 Mild high GAEAHM C[C@@H]1O[C@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](N)C[C@@H]1/N=C(\N)C(=O)[O-] C[C@@H]1O[C@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](N)C[C@@H]1/N=C(\N)C(=O)O ZINC000210450713 89/92/67/570899267 PVTHJAPFENJVNC-YUYJBMQVSA-N 0 379.366 GA -4.538 0 Mild ref GAEARN C[C@@H]1O[C@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H]([NH3+])C[C@@H]1/N=C(\N)C(=O)[O-] COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12 ZINC000238785795 42/75/27/570427527 IBFYXTRXDNAPMM-FZEIBHLUSA-N 0 388.369 GA -2.229 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12 OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1Cl ZINC000253475965 85/45/26/571854526 BAQAVOSOZGMPRM-AWXGPMDLSA-N 0 397.635 GA -1.656 0 Reactive ref GAGARN OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1Cl in-man endogenous COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@H]12 ZINC000253527838 44/50/83/570445083 IBFYXTRXDNAPMM-PEDZVSCCSA-N 0 388.369 GA -2.229 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@H]12 COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@@H]12 ZINC000253527839 44/49/89/570444989 IBFYXTRXDNAPMM-QGCDZIMUSA-N 0 388.369 GA -2.229 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@@H]12 COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@@H]12 ZINC000253527841 44/50/93/570445093 IBFYXTRXDNAPMM-YWEDNGDASA-N 0 388.369 GA -2.229 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@@H]12 COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2C ZINC000253617638 44/54/98/570445498 AMBQHHVBBHTQBF-PFGDIFRVSA-N 0 390.385 GA -2.151 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2C COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C ZINC000253617639 44/53/99/570445399 AMBQHHVBBHTQBF-RUVLLXDTSA-N 0 390.385 GA -2.151 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C ZINC000253617640 44/59/89/570445989 AMBQHHVBBHTQBF-SCRQTLQRSA-N 0 390.385 GA -2.151 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C ZINC000253617641 89/99/35/522899935 AMBQHHVBBHTQBF-SESPWBGXSA-N 0 390.385 GA -2.151 0 Anodyne ref GAAARN COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C