smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	160854475	KYPHSDLQACPEPC-OIKJNTNWSA-N	608.549	-2.132	70	1	KAIF	
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	160854584	BDXOJJDLYMCIFK-QQUSBYFVSA-N	608.549	-2.132	70	1	KAIF	
COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O	161359344	XEOMCDDFSGTWFB-RXFKRDKPSA-N	666.585	-1.547	70	1	KAIF	
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5OC(=O)[C@@]3(O[C@H]3OC(=O)[C@H](O)[C@]34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O	44069430	SGRKMMKNGLCBFP-UFSYZKEQSA-N	572.463	-1.525	70	1	KAIF	
O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c12	160625490	FIAAVMJLAGNUKW-GSVBVEKMSA-N	594.522	-2.393	70	1	KAIF	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)OC=P(O)(O)CO[P@](=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	169692048	VESOXDMUDYNSAX-YRNPISGJSA-N	784.466	-3.114	70	1	KAIF	
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O	169719931	SGRKMMKNGLCBFP-ILPZZVSFSA-N	572.463	-1.525	70	1	KAIF	
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc(O)c12	160523441	PTKNECMMKRDZEG-XRWVYELWSA-N	610.521	-2.420	70	1	KAIF	
COc1cc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c(O)c3c2=O)cc(O)c1OC	161369776	MMBFBXQUZNSAAJ-MVKAXRKBSA-N	684.600	-2.100	70	1	KAIF	
O1[SiH]2O[SiH]3O[SiH]4O[SiH]1O[SiH]1O[SiH](O2)O[SiH]2O[SiH](O1)O[SiH](O[SiH](O3)O2)O4	263614362	HYEHJNISMFGGMR-UHFFFAOYSA-N	530.925	-7.511	70	1	KAIF	in-vitro
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O	89780659	SGRKMMKNGLCBFP-OVBNASDBSA-N	572.463	-1.525	70	1	KAIF	
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)OCP(O)(O)=CO[P@@](=O)(O)OC[C@@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	169692049	VESOXDMUDYNSAX-WRAFKSFMSA-N	784.466	-3.114	70	1	KAIF	
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O	169361963	SGRKMMKNGLCBFP-ZKUAFVOPSA-N	572.463	-1.525	70	1	KAIF	
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5OC(=O)[C@@]3(O[C@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O	89780658	SGRKMMKNGLCBFP-SPHAHJHASA-N	572.463	-1.525	70	1	KAIF	
Nc1ccn([C@@H]2CO[C@H](CO[P@@](=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O)[C@H]2O)c(=O)n1	161043781	LPGFNCONVZCCCG-PMTXTEDRSA-N	620.409	-1.553	70	1	KAIF	
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@H](O)[C@]34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O	169361964	SGRKMMKNGLCBFP-DNXYFGEHSA-N	572.463	-1.525	70	1	KAIF	
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@H]3OC(=O)[C@H](O)[C@]34[C@H](C(C)(C)C)[C@H]5OS(=O)(=O)C(F)(F)F)[C@@]12O	44069433	SGRKMMKNGLCBFP-KQIOUQAESA-N	572.463	-1.525	70	1	KAIF	
O=c1c(O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12	161503571	ZANFLRJWKPZOAS-UINLEYECSA-N	626.520	-3.066	70	1	KAIF	
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O	161212629	LUMPLECYKCAQRE-GXPDDDOKSA-N	608.549	-1.090	70	1	KAIF