smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1csc(N2CCOCC2)n1	848944547	OJSFRVDJSHVUBF-UHFFFAOYSA-N	450.495	0.261	70	20	JCID	
C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)C[C@@H](C)O1	848945026	HXCVRZFPBXODPV-BETUJISGSA-N	460.509	0.978	70	20	JCID	
Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1	848944856	DMRRGXGBOJLVJD-UHFFFAOYSA-N	484.575	0.781	70	20	JCID	
O=S(=O)(F)c1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCC3)cn2)c1	848944374	GOLGEXRLWVLVPU-UHFFFAOYSA-N	464.522	0.830	70	20	JCID	
C[C@@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)C[C@@H](C)O1	848945027	HXCVRZFPBXODPV-CHWSQXEVSA-N	460.509	0.978	70	20	JCID	
COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848944485	LEPAGHPQBUMFHX-UHFFFAOYSA-N	466.490	0.597	70	20	JCID	
COC(=O)c1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848947675	CPIMLRSXKSUERK-UHFFFAOYSA-N	452.463	0.580	70	20	JCID	
O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccc(S(=O)(=O)F)c1	1120865979	DXDZOXNVDLOYTC-UHFFFAOYSA-N	456.521	0.622	70	20	JCID	
O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1	848944128	MAPKWTITUWRSIP-UHFFFAOYSA-N	491.544	0.753	70	20	JCID	
CC(C)NS(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1	848944546	OFNGXIUSZCLLNE-UHFFFAOYSA-N	452.511	0.732	70	20	JCID	
O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(S(=O)(=O)F)cc1	865206079	WVPFVQDVOWQCJQ-UHFFFAOYSA-N	456.521	0.622	70	20	JCID	
Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cc(S(=O)(=O)F)c[nH]4)CC3)C2=O)n(C)n1	1346643192	YMRUYRFYERANEM-MRXNPFEDSA-N	452.512	0.668	70	20	JCID	
O=S(=O)(F)c1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1	848944695	VZLDHKWQNNPGEL-UHFFFAOYSA-N	464.522	0.830	70	20	JCID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	1515237402	MPTHDVASUHCOAW-UHFFFAOYSA-N	459.506	0.824	70	20	JCID	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848944178	QFCBCCJABDWHIE-UHFFFAOYSA-N	493.560	0.999	70	20	JCID	
C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)C[C@H](C)O1	848945028	HXCVRZFPBXODPV-STQMWFEESA-N	460.509	0.978	70	20	JCID	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944166	OJPYPHVHZGMQGA-UHFFFAOYSA-N	493.560	0.999	70	20	JCID	
CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1=O	848945264	NCNNAIISYXSLPY-UHFFFAOYSA-N	484.487	0.639	70	20	JCID	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848944748	YDLLKHIVAIXINE-UHFFFAOYSA-N	464.522	0.570	70	20	JCID	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cccc(S(=O)(=O)F)c1	1347810359	VAVTVMQIKUJHMD-UHFFFAOYSA-N	499.542	0.760	70	20	JCID	
O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1	848947603	YZNBLDYMGNPUEF-UHFFFAOYSA-N	465.506	0.562	70	20	JCID	
NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1Cl	848944494	LQZKGIWSWJWQNX-UHFFFAOYSA-N	471.897	0.269	70	20	JCID	
O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)cc2N1	865207863	RGGXUISLPJNYHY-UHFFFAOYSA-N	483.499	0.822	70	20	JCID	
NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)ccc1Cl	848944538	NSZQJXFYLDJGLJ-UHFFFAOYSA-N	471.897	0.269	70	20	JCID	
O=C1CN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2)CCN1	848944535	NMRCMOCQFUEOKW-UHFFFAOYSA-N	477.517	0.266	70	20	JCID	
COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)c1	1527341997	WAUMHZIKQBRGPH-UHFFFAOYSA-N	465.506	0.668	70	20	JCID	
CS(=O)(=O)CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944858	DMWGLFPMPBNLHP-UHFFFAOYSA-N	485.558	0.964	70	20	JCID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1	848944044	CHCHWJZSJFPXJU-UHFFFAOYSA-N	491.544	0.753	70	20	JCID	
O=S(=O)(F)c1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CC3)cn2)cc1	848944465	KEPTZQCETCQPJX-UHFFFAOYSA-N	450.495	0.486	70	20	JCID	
COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1	848944604	RATAGKFMFGRUPW-UHFFFAOYSA-N	466.490	0.597	70	20	JCID	
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1	1518681019	VRZJJZARUFLYGM-UHFFFAOYSA-N	473.504	0.996	70	20	JCID	
COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848947321	HUEGIEHPSYUJID-UHFFFAOYSA-N	480.517	0.987	70	20	JCID	
COC(=O)c1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848948016	XAJOWTUKTLKCFS-UHFFFAOYSA-N	452.463	0.580	70	20	JCID	
O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)c4cccc(S(=O)(=O)F)c4)CC3)cc2N1	1340086773	DBHVHYBNTVGYDD-UHFFFAOYSA-N	483.499	0.822	70	20	JCID	
COCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	848945022	HVEYBACPTLKUGU-UHFFFAOYSA-N	467.522	0.851	70	20	JCID	
COCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945099	KBCXPUHOZGQHHZ-UHFFFAOYSA-N	467.522	0.851	70	20	JCID	
CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)CC1	848946796	AJQXYSSERFABNC-UHFFFAOYSA-N	478.549	0.622	70	20	JCID	
CS(=O)(=O)CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848945404	PGGIQFOMAJZLCU-UHFFFAOYSA-N	485.558	0.964	70	20	JCID	
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)c1	1263697035	JFZRXRLUTMUHEI-UHFFFAOYSA-N	461.493	0.837	70	20	JCID	
O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	848945014	HNEHJCDSTSALIK-UHFFFAOYSA-N	484.531	0.112	70	20	JCID	
CC(C)NS(=O)(=O)c1ccc(NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)nc1	848944461	KAEYSVVLYZPQAI-UHFFFAOYSA-N	452.511	0.732	70	20	JCID	
CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944080	HEDYVYBRUHTKKW-UHFFFAOYSA-N	465.506	0.218	70	20	JCID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	1520865428	LOFXLHBQQKNIIJ-UHFFFAOYSA-N	473.504	0.981	70	20	JCID	
O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	848944218	UQZGGHJDJTWKKJ-UHFFFAOYSA-N	491.544	0.753	70	20	JCID	
Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1	1527566040	QLNARNDAFUZCHQ-UHFFFAOYSA-N	458.537	0.718	70	20	JCID	
Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cc(S(=O)(=O)F)c[nH]4)CC3)C2=O)n(C)n1	1346643143	YMRUYRFYERANEM-INIZCTEOSA-N	452.512	0.668	70	20	JCID	
CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1	848944062	FFVUOHZDIACXSX-UHFFFAOYSA-N	465.506	0.218	70	20	JCID	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1	1348646291	GWQQIMXGQXOQLT-UHFFFAOYSA-N	480.540	0.380	70	20	JCID	
COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848944454	JQIIOWMFWUMSOH-UHFFFAOYSA-N	466.490	0.597	70	20	JCID	
CN(C)CCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1	848948479	WZYQDZNQUCDBQB-UHFFFAOYSA-N	465.550	0.986	70	20	JCID	
COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848944565	OZEMQQWPRKNRHA-UHFFFAOYSA-N	466.490	0.597	70	20	JCID	
O=S(=O)(F)c1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CC3)cn2)c1	848944634	SJMCUXQJBBACGP-UHFFFAOYSA-N	450.495	0.486	70	20	JCID	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1	848944184	QSVVSMCEAREBPS-UHFFFAOYSA-N	479.533	0.283	70	20	JCID	
COc1cc(S(N)(=O)=O)c(OC)cc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1	848944906	GBLQXJCYUZZUKL-UHFFFAOYSA-N	454.479	0.810	70	20	JCID	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccc(S(=O)(=O)F)cc1	865205485	FZFNELIQZZIOAE-UHFFFAOYSA-N	499.542	0.760	70	20	JCID	
CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1=O	848945684	YXRWOGJBSYNDTQ-UHFFFAOYSA-N	484.487	0.639	70	20	JCID	
O=S(=O)(F)c1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1	848944240	ZACJXHRDBIOFOQ-UHFFFAOYSA-N	480.517	0.872	70	20	JCID	
O=C1CN(S(=O)(=O)c2cccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)c2)CCN1	848944606	RBDZAOGTJCGSTK-UHFFFAOYSA-N	477.517	0.266	70	20	JCID	
O=C(O)CCOCCOCCOCCOCCOCCOCCNC(=O)CBr	145416979	AIMIPBWCWPFVBR-UHFFFAOYSA-N	474.345	0.072	70	20	JCID	
CS(=O)(=O)N(c1ccc(OCCNC(=O)c2ccc(S(=O)(=O)F)cc2)cc1)S(C)(=O)=O	865209250	MEOCISFMASVILE-UHFFFAOYSA-N	494.544	0.879	70	20	JCID