smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cn1c(=O)c2c(ncn2CCCCNC[C@@H](O)c2ccc(O)c(O)c2)n(C)c1=O	33829351	ISIIDPOCFZZEKK-OAHLLOKOSA-N	403.439	-0.052	10	30	HBCC	
CC(=O)OC[C@H]1O[C@](N=[N+]=[N-])(C(N)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	100053862	MFQSHUZKGGRDHD-KDBYPZKRSA-N	416.343	-0.765	10	30	HBCC	
O=c1c2cc(O)c(O)cc2oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c(O)cc(O)c12	247807498	CDYBOKJASDEORM-POPBSAKISA-N	422.342	-0.717	10	30	HBCC	endogenous,in-man
Cn1c(=O)c2c(ncn2CCCCNC[C@H](O)c2ccc(O)c(O)c2)n(C)c1=O	33829350	ISIIDPOCFZZEKK-HNNXBMFYSA-N	403.439	-0.052	10	30	HBCC	
O=c1c2cc(O)c(O)cc2oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12	238766085	CDYBOKJASDEORM-WUMDVHNGSA-N	422.342	-0.717	10	30	HBCC	endogenous,in-man
O=c1c2cc(O)c(O)cc2oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c(O)cc(O)c12	247807494	CDYBOKJASDEORM-OORKHVHYSA-N	422.342	-0.717	10	30	HBCC	endogenous,in-man
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@@H](O)CO)C[C@H]3O	31495221	CGVVIRBOJFDFBH-SXUOVDMSSA-N	416.382	-0.054	10	30	HBCC	in-vitro
CC(=O)N[C@@]1(CCN=[N+]=[N-])[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	1565503851	XVEHKMHORGHELM-LYYZXLFJSA-N	416.387	-0.295	10	30	HBCC	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)([C@H](O)CO)C[C@H]3O	6019151	CGVVIRBOJFDFBH-NNJUXLKUSA-N	416.382	-0.054	10	30	HBCC	in-vitro
O=c1c2cc(O)c(O)cc2oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc(O)c12	247807490	CDYBOKJASDEORM-CRSFEKIESA-N	422.342	-0.717	10	30	HBCC	endogenous,in-man