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
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
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O	ZINC000004228232	79/24/77/570792477	ZJUKTBDSGOFHSH-WFMPWKQPSA-N	0	384.418	GA	-1.437	0	Anodyne	ref	GAAARN	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O	world endogenous
Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000005163085	11/65/13/204116513	MGEBVSZZNFOIRB-UUOKFMHZSA-N	0	393.141	GA	-1.375	0	Anodyne	ref	GAAARN	Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	 
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O	ZINC000013509104	97/84/75/206978475	ZJUKTBDSGOFHSH-KWGHVAAJSA-N	0	384.418	GA	-1.437	0	Anodyne	ref	GAAARN	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O	in-vitro
NCCN[C@@H](CC(=O)O)C(CC(=O)O)(CC(=O)O)N(CC(=O)O)CC(=O)O	ZINC000112987836	26/24/18/570262418	GBGYSOHUJQXGIX-QMMMGPOBSA-N	-3	393.349	GA	-2.463	1	Anodyne	mid	GAABML	[NH3+]CC[NH2+][C@@H](CC(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	 
NCCN[C@@H](CC(=O)O)C(CC(=O)O)(CC(=O)O)N(CC(=O)O)CC(=O)O	ZINC000112987836	26/24/15/570262415	GBGYSOHUJQXGIX-QMMMGPOBSA-N	-4	393.349	GA	-2.463	0	Anodyne	ref	GAABRL	NCC[NH2+][C@@H](CC(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	 
NCCN[C@H](CC(=O)O)C(CC(=O)O)(CC(=O)O)N(CC(=O)O)CC(=O)O	ZINC000112987837	26/23/69/570262369	GBGYSOHUJQXGIX-MRVPVSSYSA-N	-3	393.349	GA	-2.463	1	Anodyne	mid	GAABML	[NH3+]CC[NH2+][C@H](CC(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	 
NCCN[C@H](CC(=O)O)C(CC(=O)O)(CC(=O)O)N(CC(=O)O)CC(=O)O	ZINC000112987837	26/23/67/570262367	GBGYSOHUJQXGIX-MRVPVSSYSA-N	-4	393.349	GA	-2.463	0	Anodyne	ref	GAABRL	NCC[NH2+][C@H](CC(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]