smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1C(=O)[C@H]2CC[C@@H](N2)C1=O	263623488	HWGUZUZZNCWWQH-QWWZWVQMSA-N	153.137	-1.172	10	50	AACA	
O=C1C(=O)C(=O)[C@H](O)[C@@H](O)C1=O	25624018	SLMIQMVBMZJQAX-JCYAYHJZSA-N	172.092	-3.002	10	50	AACA	
[N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O	3977741	MZZGOOYMKKIOOX-VKHMYHEASA-N	173.128	-1.758	10	50	AACA	in-man
O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O	1532648	SBJKKFFYIZUCET-JLAZNSOCSA-N	174.108	-2.597	10	50	AACA	biogenic,in-vivo
O=C1C(=O)C(O)C1=O	136201191	LUBPYOIUVABHPO-UHFFFAOYSA-N	114.056	-1.932	10	50	AACA	
O=C1NC(=O)C(=CNC2CC2)C(=O)N1	6192209	KINYNGDVVNZAFC-UHFFFAOYSA-N	195.178	-1.012	10	50	AACA	
O=c1c(O)c(O)c(=O)c(=O)c1=O	3861035	WCJLIWFWHPOTAC-UHFFFAOYSA-N	170.076	-2.586	10	50	AACA	in-vitro
O=C1C(=O)C(=O)C(=O)C(=O)C1=O	3861007	PKRGYJHUXHCUCN-UHFFFAOYSA-N	168.060	-2.585	10	50	AACA	in-vitro
O=C1C(=O)C(=O)[C@H](O)[C@H](O)C1=O	4786581	SLMIQMVBMZJQAX-XIXRPRMCSA-N	172.092	-3.002	10	50	AACA	
NCCN(CCN)/[N+]([O-])=N\O	25695898	YNRCBOXEDICOIX-VQHVLOKHSA-N	163.181	-1.528	10	50	AACA	
O=C1C(=O)C(=O)[C@@H](O)[C@H](O)C1=O	4786584	SLMIQMVBMZJQAX-LWMBPPNESA-N	172.092	-3.002	10	50	AACA	
NC=C1C(=O)NC(=O)NC1=O	5409928	RMIBANWXTATJSG-UHFFFAOYSA-N	155.113	-1.805	10	50	AACA	
COC(=O)CNC=C1C=NNC1=O	2040750993	CHLVPUYTOLSIQY-UHFFFAOYSA-N	183.167	-1.252	10	50	AACA	
O=C1O[C@H]([C@H](O)CO)C(=O)C1=O	1532649	SBJKKFFYIZUCET-DUZGATOHSA-N	174.108	-2.597	10	50	AACA	endogenous,in-man