smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H]1O[C@@H](O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O	38469524	KYLFHITXPCWYAL-HLBABLIESA-N	436.413	0.398	10	30	ICCC	
O=c1c(O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	14684624	PZZRDJXEMZMZFD-VHICIVCISA-N	434.353	0.100	10	30	ICCC	biogenic,in-vitro
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O	31155506	ACYXDIZTQDLTCB-UVIKLTKHSA-N	434.353	0.577	10	30	ICCC	endogenous,in-man
COC(=O)[C@H]1O[C@@H](Oc2ccc(N)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	44135746	IGHOHCWHGMRAMB-YTGMWSOZSA-N	425.390	0.341	10	30	ICCC	in-vitro
O=P(O)(O)C(NCCNCc1ccccc1O)(c1ccccc1O)P(=O)(O)O	221650538	YGWZBPVXEXJQGC-UHFFFAOYSA-N	432.306	0.943	10	30	ICCC	
O=C1c2cccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21	26842601	KWAZOPYMFGJFGI-UHFFFAOYSA-N	428.489	0.155	10	30	ICCC	in-vitro