smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCCCCCCCOC(COCCC[Si](Cl)(Cl)Cl)COCCC[Si](Cl)(Cl)Cl	198525550	UCVAQKYRBQCHRV-UHFFFAOYSA-N	583.400	8.636	70	30	KKIC	
O=S(=O)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	150367982	OWNXTVBJQHTUHT-UHFFFAOYSA-N	746.654	8.496	70	30	KKIC	
O=S(=O)(Cl)c1ccc(O/C(=C(/C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1	150383479	VOEFEIDNANPLSQ-BQYQJAHWSA-N	672.687	8.316	70	30	KKIC	
O=S(=O)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100374266	UKNLPYXLGGKLMW-UHFFFAOYSA-N	596.633	6.590	70	30	KKIC	
O=C(CC(=O)C(F)(F)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)CC(=O)C(F)(F)C(F)(F)F)cc2)cc1	263583824	BLPPQVVDPGBJID-UHFFFAOYSA-N	704.922	7.627	70	30	KKIC	
CC1=C(OS(=O)(=O)C(F)(F)F)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	218848181	YOIMFEXPXGPPAD-RDJZCZTQSA-N	504.760	6.701	70	30	KKIC	in-vitro
O=S(=O)(O[C@H]1[C@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F	150660486	ZZAHKHYZOOLOLW-KSVMHDQPSA-N	672.718	6.551	70	30	KKIC	in-vitro
O=S(=O)(Cl)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1	100118621	PPKJGFABEANLHW-UHFFFAOYSA-N	544.663	6.445	70	30	KKIC	
Cl[Si](Cl)(Cl)CC[Si](CC[Si](Cl)(Cl)Cl)(CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl	196109035	PUDQRTQAKSJQOX-UHFFFAOYSA-N	678.082	10.056	70	30	KKIC	
F[C@H](C(F)(F)F)C(F)(F)CO[Si](Cl)(OCC(F)(F)[C@H](F)C(F)(F)F)OCC(F)(F)[C@H](F)C(F)(F)F	252500883	TXRNOBUVAJDJLC-ZLUOBGJFSA-N	606.704	6.318	70	30	KKIC	
O=S(=O)(O[C@H]1[C@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(F)(F)F	575416241	ZZAHKHYZOOLOLW-VHFAWWBMSA-N	672.718	6.551	70	30	KKIC	in-vitro
C[Si](CC[Si](Cl)(Cl)Cl)(CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl	195849251	BUQFFXXZDZLDNH-UHFFFAOYSA-N	530.618	8.031	70	30	KKIC	
CC(C)c1cc(C(C)C)c(NN=C=NNc2c(C(C)C)cc(C(C)C)c(N=C=O)c2C(C)C)c(C(C)C)c1N=C=O	238790804	DGXKWAYPLLHUBK-UHFFFAOYSA-N	558.771	9.890	70	30	KKIC	
O=C1C[C@@H](c2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)Oc2cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(OS(=O)(=O)C(F)(F)F)c21	261508157	QAPBWWFBCPHNRZ-LBPRGKRZSA-N	968.484	7.890	70	30	KKIC	
C[Si](C)(C)O[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	198023934	KPVGLNAGKNDXKJ-UHFFFAOYSA-N	535.276	7.383	70	30	KKIC	
O=S(=O)(O[C@H]1[C@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(F)(F)F	150368533	ZZAHKHYZOOLOLW-GYLADCCPSA-N	672.718	6.551	70	30	KKIC	in-vitro
O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100424490	NBFKXQZHVNHRSB-UHFFFAOYSA-N	552.124	5.888	70	30	KKIC	
CCCCCCCCCCCCCCCCCc1nnc(S)n1NC(=O)Nc1cccc(S(=O)(=O)F)c1	111867063	PTXRDRHMHUOBAH-UHFFFAOYSA-N	555.786	7.415	70	30	KKIC	
O=C1C[C@H](c2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)Oc2cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(OS(=O)(=O)C(F)(F)F)c21	261508156	QAPBWWFBCPHNRZ-GFCCVEGCSA-N	968.484	7.890	70	30	KKIC	
Cc1cccc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cn2cc(NC(=O)c3ccc(O)cc3)ccc2n1	141461967	VQAFBYLFRCCWNB-GOSISDBHSA-N	526.980	5.442	70	30	KKIC	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccccc1[Si](Cl)(Cl)Cl	585138942	GIXYWRKOGUCWOQ-UHFFFAOYSA-N	629.597	8.015	70	30	KKIC	
C[Si](C)(C)c1cc(-c2cc(-c3ccc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c3)cc(-c3ccc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c3)c2)ccc1OS(=O)(=O)C(F)(F)F	197900794	ZLEUXQBUQGSSOW-UHFFFAOYSA-N	967.140	9.008	70	30	KKIC	
C[SiH](O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	256081115	VSLHCOZVHMYAKT-UHFFFAOYSA-N	886.627	11.538	70	30	KKIC	
CC(C)[SiH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C	256124584	RUODWQBAJXCKCP-UHFFFAOYSA-N	662.394	9.704	70	30	KKIC	
O=S(=O)(O[C@H]1[C@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F	72399429	ZZAHKHYZOOLOLW-PJRHAEEISA-N	672.718	6.551	70	30	KKIC	in-vitro
C[Si](C)(C)O[Si](Cl)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C	198019840	YFBVNTASMGOUJT-UHFFFAOYSA-N	589.013	7.996	70	30	KKIC	
Cl[Si](Cl)(Cl)CCCc1ccc(N(c2ccc(CCC[Si](Cl)(Cl)Cl)cc2)c2ccc(CCC[Si](Cl)(Cl)Cl)cc2)cc1	217954973	LGJUXSUQQVUNOP-UHFFFAOYSA-N	771.879	12.920	70	30	KKIC