O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2OC3(CCCCC3)O[C@@H]12	ZINC000004100786	84/31/68/304843168	SOONKKMMJCQOLI-MBVBQEHMSA-N	0	260.286	CA	-1.112	0	Anodyne	ref	CAAARN	O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2OC3(CCCCC3)O[C@@H]12	 
O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@H](O)[C@H](O)[C@@H]1O	ZINC000004100787	84/31/16/304843116	SOONKKMMJCQOLI-GSVPJAPCSA-N	0	260.286	CA	-1.112	0	Anodyne	ref	CAAARN	O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@H](O)[C@H](O)[C@@H]1O	 
O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H]2OC3(CCCCC3)O[C@@H]12	ZINC000004100788	84/31/02/304843102	SOONKKMMJCQOLI-HQPKYVJOSA-N	0	260.286	CA	-1.112	0	Anodyne	ref	CAAARN	O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H]2OC3(CCCCC3)O[C@@H]12	in-vitro
O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H](O)[C@H](O)[C@@H]1O	ZINC000004100790	84/31/19/304843119	SOONKKMMJCQOLI-XRZDUACRSA-N	0	260.286	CA	-1.112	0	Anodyne	ref	CAAARN	O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H](O)[C@H](O)[C@@H]1O	 
CCOC(=O)C(=[N+]=[N-])C(=O)C[N+]12CCN(CC1)CC2	ZINC000005543983	52/06/05/279520605	ZRQZDMMLCDCMPC-UHFFFAOYSA-N	1	267.309	CA	-1.065	0	Mild	ref	CAEARO	CCOC(=O)C([N+]#N)=C([O-])C[N+]12CCN(CC1)CC2	 
NC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1	ZINC000019798198	87/03/00/170870300	KCKGUFIDGVVLOO-UHFFFAOYSA-N	0	294.275	CA	-1.836	0	Anodyne	ref	CAAARN	NC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1	 
CC1(C)OC(=O)C(=CN[C@@H](CO)C(=O)O)C(=O)O1	ZINC000100716060	89/89/60/372898960	UBOXOUARSSFCQN-LURJTMIESA-N	-1	259.214	CA	-1.258	0	Clean	ref	CACARM	CC1(C)OC(=O)C(=CN[C@@H](CO)C(=O)[O-])C(=O)O1	 
CC1(C)OC(=O)C(=CN[C@H](CO)C(=O)O)C(=O)O1	ZINC000100716062	89/90/21/372899021	UBOXOUARSSFCQN-ZCFIWIBFSA-N	-1	259.214	CA	-1.258	0	Clean	ref	CACARM	CC1(C)OC(=O)C(=CN[C@H](CO)C(=O)[O-])C(=O)O1	 
O=C(NCCO)NC(=O)c1cn(CCO)c(O)nc1=O	ZINC000253512444	52/59/58/545525958	KLVPKEDCOONMHH-UHFFFAOYSA-N	-1	286.244	CA	-2.627	3	Anodyne	high	CAAAHM	O=C(NCCO)NC(=O)c1cn(CCO)c(=O)[n-]c1=O	 
O=C(NCCO)NC(=O)c1cn(CCO)c(O)nc1=O	ZINC000253512444	52/59/46/545525946	KLVPKEDCOONMHH-UHFFFAOYSA-N	0	286.244	CA	-2.627	0	Anodyne	ref	CAAARN	O=C(NCCO)NC(=O)c1cn(CCO)c(=O)[nH]c1=O