smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NC1CN(S(=O)(=O)F)C1	2313855934	JPOFCEXNUADCPS-SECBINFHSA-N	403.454	-1.061	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCC2CN(S(=O)(=O)F)C2)[C@@H](O)C1	2197493118	ZOZFGZPSYIUKGU-NHYWBVRUSA-N	411.452	-1.019	70	10	HAIE	
CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)NC1CN(S(=O)(=O)F)C1	2313858751	JPOFCEXNUADCPS-VIFPVBQESA-N	403.454	-1.061	70	10	HAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]1	2201049120	RQKADUSQJLJUTJ-JEZHCXPESA-N	408.408	-1.220	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2184063350	GANVQCLTQJOAEF-TUAOUCFPSA-N	411.452	-1.020	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2356120178	GANVQCLTQJOAEF-GRYCIOLGSA-N	411.452	-1.020	70	10	HAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1	2357916192	RQKADUSQJLJUTJ-SFGNSQDASA-N	408.408	-1.220	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](O)[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2356120179	GANVQCLTQJOAEF-IJLUTSLNSA-N	411.452	-1.020	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCC2CN(S(=O)(=O)F)C2)[C@@H](O)C1	2197493119	ZOZFGZPSYIUKGU-XHDPSFHLSA-N	411.452	-1.019	70	10	HAIE	
CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)NC1CN(S(=O)(=O)F)C1	2313858750	JPOFCEXNUADCPS-SECBINFHSA-N	403.454	-1.061	70	10	HAIE	
O1[SiH]2O[SiH]3O[SiH]4O[SiH]1O[SiH]1O[SiH](O2)O[SiH](O3)O[SiH](O4)O1	247745589	POPVULPQMGGUMJ-UHFFFAOYSA-N	424.740	-6.009	70	10	HAIE	in-vitro
CC(C)(C)OC(=O)N[C@H](C(=O)NC1CN(S(=O)(=O)F)C1)C1CS(=O)(=O)C1	2268811144	KYJBWTWFENJVFB-JTQLQIEISA-N	415.465	-1.061	70	10	HAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2[C@@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1	2201049119	RQKADUSQJLJUTJ-HGNGGELXSA-N	408.408	-1.220	70	10	HAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2[C@H](O)[C@@H](O)CN2C(=O)OC(C)(C)C)[nH]1	2201049121	RQKADUSQJLJUTJ-UJNFCWOMSA-N	408.408	-1.220	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCC2CN(S(=O)(=O)F)C2)[C@H](O)C1	2197493117	ZOZFGZPSYIUKGU-IAQYHMDHSA-N	411.452	-1.019	70	10	HAIE	
Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H]2[C@H](O)[C@H](O)CN2C(=O)OC(C)(C)C)[nH]1	2201049118	RQKADUSQJLJUTJ-FKTZTGRPSA-N	408.408	-1.220	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2184063348	GANVQCLTQJOAEF-SDDRHHMPSA-N	411.452	-1.020	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](O)[C@@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2184063347	GANVQCLTQJOAEF-QJPTWQEYSA-N	411.452	-1.020	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCC2CN(S(=O)(=O)F)C2)[C@H](O)C1	2197493116	ZOZFGZPSYIUKGU-ABAIWWIYSA-N	411.452	-1.019	70	10	HAIE	
CC(C)(C)OC(=O)N[C@@H](C(=O)NC1CN(S(=O)(=O)F)C1)C1CS(=O)(=O)C1	2268811145	KYJBWTWFENJVFB-SNVBAGLBSA-N	415.465	-1.061	70	10	HAIE	
CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](O)[C@H]1C(=O)NCC1CN(S(=O)(=O)F)C1	2184063349	GANVQCLTQJOAEF-SRVKXCTJSA-N	411.452	-1.020	70	10	HAIE