smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=S(=O)(Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl	100301335	RAYWEYWCLWHKHB-UHFFFAOYSA-N	314.404	4.228	70	30	DIIC	
CC(C)c1cc(S(=O)(=O)Cl)ccc1OCc1ccccc1	59148108	TWOZIWXRYBLRIO-UHFFFAOYSA-N	324.829	4.317	70	30	DIIC	
CCCCCOc1ccc(S(=O)(=O)Cl)cc1C(C)C	59148094	TWZKVAWLZZLAAX-UHFFFAOYSA-N	304.839	4.307	70	30	DIIC	
O=S(=O)(Cl)c1ccc(Oc2ccccc2)c(Cl)c1	100628697	XYLCLCHQPCJCAQ-UHFFFAOYSA-N	303.166	4.060	70	30	DIIC	
CSc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1	110979706	SKWYAHPGTQUXMG-UHFFFAOYSA-N	314.815	4.128	70	30	DIIC	
CC(C)(C)OC(=O)N1CCC(C23CC([B-](F)(F)F)(C2)C3)CC1	2265360988	REBIRSQRHOQSPE-UHFFFAOYSA-N	318.168	4.405	70	30	DIIC	
CC(C)(C)OC(=O)N1CC[C@@H](C23CC([B-](F)(F)F)(C2)C3)C1	2265385642	VMNJPRSLXWNBDH-GWMXKSKGSA-N	304.141	4.015	70	30	DIIC	
O=S(=O)(Cl)c1ccc(Oc2cccc(Cl)c2)cc1	100601184	JNMIOFCTTBBMJG-UHFFFAOYSA-N	303.166	4.060	70	30	DIIC	
CC(C)(C)OC(=O)N1CC[C@H](C23CC([B-](F)(F)F)(C2)C3)C1	2265385641	VMNJPRSLXWNBDH-FNBIGBAISA-N	304.141	4.015	70	30	DIIC	
CC(C)(C)OC(=O)n1c([B-](F)(F)F)cc2ccc(Cl)cc21	200339583	LLTDEQUQDAEXRO-UHFFFAOYSA-N	318.511	4.132	70	30	DIIC	in-vitro
O=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCCCC1	88270479	VTUSJTIGZRGXLK-UHFFFAOYSA-N	323.241	4.227	70	30	DIIC	
C=C(/C=C/[C@@H](Cl)[C@H](Cl)/C=C/Br)CCl	137003174	VQSLPGQMLVUDDK-PTZKRIBWSA-N	304.442	4.461	70	30	DIIC	
FC(F)(F)c1ccc(-c2nsc(CBr)n2)cc1	144504310	HSHZPGGCSUPGLY-UHFFFAOYSA-N	323.137	4.119	70	30	DIIC	
CCCCCCCCOc1ccc(S(=O)(=O)Cl)cc1	101780278	XSIVGBFROVRXBG-UHFFFAOYSA-N	304.839	4.353	70	30	DIIC