smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CS(=O)(=O)Cl	669371509	BPOIWXIMEBTAMX-WCQYABFASA-N	331.821	2.460	70	30	EEIC	
CC(C)(C)OC(=O)N1CCC([C@@H](C#N)CS(=O)(=O)Cl)CC1	950757281	OYJJBZANZLZFSX-NSHDSACASA-N	336.841	2.342	70	30	EEIC	
C[S@@](=O)(=NS(=O)(=O)Cl)c1cccc(Br)c1	407985648	DCYVAORKXKYXQB-AWEZNQCLSA-N	332.628	2.389	70	30	EEIC	
O=C(OCc1ccccc1)N1C[C@@H](F)C[C@H]1CS(=O)(=O)Cl	757174966	FOYVSUZSQADLKJ-RYUDHWBXSA-N	335.784	2.304	70	30	EEIC	
O=C(NCCCc1ccc(S(=O)(=O)Cl)cc1)C(F)(F)F	103335356	WXTPYQXMRLGPJW-UHFFFAOYSA-N	329.727	2.225	70	30	EEIC	
O=S(=O)(Cl)c1ccc(F)c(I)c1F	102690202	SNGVIINXEZGGJB-UHFFFAOYSA-N	338.500	2.497	70	30	EEIC	
C[S@](=O)(=NS(=O)(=O)Cl)c1cccc(Br)c1	407985651	DCYVAORKXKYXQB-CQSZACIVSA-N	332.628	2.389	70	30	EEIC	
COc1cc(Br)c(S(=O)(=O)Cl)cc1C(=O)O	100454796	GAFUXRFGHZXDFV-UHFFFAOYSA-N	329.555	2.083	70	30	EEIC	
CC(C)(C)OC(=O)N1CCN(c2ccc(S(=O)(=O)F)cc2)CC1	2265384504	MKZNOGPSXBZXPN-UHFFFAOYSA-N	344.408	2.402	70	30	EEIC	
C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CS(=O)(=O)Cl	669371510	BPOIWXIMEBTAMX-YPMHNXCESA-N	331.821	2.460	70	30	EEIC	
CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl	215645817	KHXLVRARCJEDCS-UHFFFAOYSA-N	346.619	2.388	70	30	EEIC	
CC(C)(C)OC(=O)N1CCC([C@H](C#N)CS(=O)(=O)Cl)CC1	950757280	OYJJBZANZLZFSX-LLVKDONJSA-N	336.841	2.342	70	30	EEIC	
C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CS(=O)(=O)Cl	669371508	BPOIWXIMEBTAMX-DGCLKSJQSA-N	331.821	2.460	70	30	EEIC	
O=C(N1CCc2c(cccc2S(=O)(=O)Cl)C1)C(F)(F)F	306549167	BWZFIAISRRHNEA-UHFFFAOYSA-N	327.711	2.061	70	30	EEIC	
O=c1[nH]c2cc(Br)c(S(=O)(=O)Cl)c(Cl)c2o1	100463409	BSWJSKVRMYJKFB-UHFFFAOYSA-N	346.973	2.465	70	30	EEIC	in-vitro
COCCOc1ccc(Br)cc1S(=O)(=O)Cl	88270743	RDEKFBRAXHKEEV-UHFFFAOYSA-N	329.599	2.402	70	30	EEIC	in-vitro
O=C(N1CCCc2cc(S(=O)(=O)Cl)ccc21)C(F)(F)F	100003710	SVPHRPKUEGQVEO-UHFFFAOYSA-N	327.711	2.456	70	30	EEIC	
COC(=O)Cc1cc(Br)ccc1S(=O)(=O)Cl	219506240	AKAHSAYSSDOQBJ-UHFFFAOYSA-N	327.583	2.092	70	30	EEIC	in-vitro
C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CS(=O)(=O)Cl	669371507	BPOIWXIMEBTAMX-AAEUAGOBSA-N	331.821	2.460	70	30	EEIC	
CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)Cl)cc2n1C	100455145	RKIOEYLOBIGTCF-UHFFFAOYSA-N	337.184	2.331	70	30	EEIC	
O=S(=O)(Oc1cn2ccc(Br)cc2n1)C(F)(F)F	242728152	YVIDSFYHIKKBEM-UHFFFAOYSA-N	345.096	2.325	70	30	EEIC	
COc1ccc(I)c(S(=O)(=O)Cl)c1	88346444	NHVUTEOEJCFDAA-UHFFFAOYSA-N	332.546	2.227	70	30	EEIC	
O=S(=O)(Cl)OC(F)(F)C(F)(F)I	100424926	JIOMRUABJNZXNN-UHFFFAOYSA-N	342.435	2.107	70	30	EEIC	
O=S(=O)(Cl)c1cc(Br)c(C2OCCO2)s1	1535645146	YOBZJCSJRIJDCJ-UHFFFAOYSA-N	333.612	2.484	70	30	EEIC	
O=S(=O)(Cl)c1cc(I)c2c(c1)CCO2	59804021	DNUUNDQTPJVHBK-UHFFFAOYSA-N	344.557	2.154	70	30	EEIC	
O=S(=O)(Cl)c1c(F)cc(I)cc1F	238602514	QDDMVHLEXDFXRK-UHFFFAOYSA-N	338.500	2.497	70	30	EEIC	
COC(=O)c1cc(F)c(Br)c(S(=O)(=O)Cl)c1	100491677	URAAFJAHZIQKCN-UHFFFAOYSA-N	331.546	2.302	70	30	EEIC	in-vitro
O=[N+]([O-])c1cc(I)ccc1S(=O)(=O)Cl	91301040	FKFPRCBZMOKLAY-UHFFFAOYSA-N	347.517	2.127	70	30	EEIC