smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1c2ccccc2C(=O)N1OCCS(=O)(=O)Cl	238853724	KMLRZQIXBFQZSH-UHFFFAOYSA-N	289.696	0.783	70	30	CCIC	
COc1cc2c(cc1S(=O)(=O)Cl)OCC(=O)N2	100552032	NYFGIVUWJJZFHA-UHFFFAOYSA-N	277.685	0.954	70	30	CCIC	in-vitro
O=C1CC2(CCOCC2)[C@@H](CS(=O)(=O)Cl)O1	675053892	QUIXAMDJNRIZEZ-SSDOTTSWSA-N	268.718	0.667	70	30	CCIC	
O=S(=O)(Cl)CCCS(=O)(=O)C(F)(F)F	642882217	DBOADRZLABWQNY-UHFFFAOYSA-N	274.669	0.880	70	30	CCIC	
Cc1ccc(B(O)OB(O)c2ccc(C)cc2)cc1	205251134	YQSNUWJZBNOQDJ-UHFFFAOYSA-N	253.903	0.395	70	30	CCIC	
O=C1CCC(=O)N1c1ccc(S(=O)(=O)Cl)cn1	958720237	DXXRTCORBYSAML-UHFFFAOYSA-N	274.685	0.663	70	30	CCIC	
COC(=O)c1c(S(=O)(=O)Cl)c(C)nn1C	107111803	HQZLABUHTKDKAL-UHFFFAOYSA-N	252.679	0.443	70	30	CCIC	
COC(=O)C1(CS(=O)(=O)Cl)CCOCC1	140419800	WAAMGPSCDNOTQS-UHFFFAOYSA-N	256.707	0.525	70	30	CCIC	
CCCn1ncc(S(=O)(=O)Cl)c1CNC(C)=O	103634881	BQEKLBCWMWLZKC-UHFFFAOYSA-N	279.749	0.857	70	30	CCIC	
COc1ccc(S(=O)(=O)Cl)cc1S(N)(=O)=O	59104244	WGIZWIJTQFZQTG-UHFFFAOYSA-N	285.730	0.270	70	30	CCIC	
COC(=O)CC1CCN(S(=O)(=O)Cl)CC1	202609992	HTGHTQJETZNXHV-UHFFFAOYSA-N	255.723	0.745	70	30	CCIC	
COC(=O)c1ccccc1O[SiH2]C(OC)OC	256091330	VMRJCISKWCOVNW-UHFFFAOYSA-N	256.330	0.512	70	30	CCIC	
CC(C)(C)OC(=O)N1C[C@H]2CNC[C@@]2(S(=O)(=O)F)C1	2265384912	GYIWZZSSXVTXKA-LDYMZIIASA-N	294.348	0.495	70	30	CCIC	
COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@H]1N	218394339	ZIZNMTWCAYMOEM-SECBINFHSA-N	260.334	0.944	70	30	CCIC	
O=S(=O)(Cl)CCNS(=O)(=O)c1ccccc1	100442097	ANWLSTPEYWXYGN-UHFFFAOYSA-N	283.758	0.534	70	30	CCIC	in-vitro
CN(C)C(=O)c1cc(S(=O)(=O)Cl)cn1C	100473499	GCEDMSUULBOKKZ-UHFFFAOYSA-N	250.707	0.654	70	30	CCIC	in-vitro
COCCNC(=O)c1cccc(S(=O)(=O)Cl)c1	100597290	AJTHTMQVVZOTJZ-UHFFFAOYSA-N	277.729	0.990	70	30	CCIC	in-vitro
CNS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1C	100558925	BHQVUBFKXKFSLQ-UHFFFAOYSA-N	283.758	0.831	70	30	CCIC	in-vitro
O=S(=O)(Cl)c1ccc2c(c1)S(=O)(=O)NC=N2	100609408	ZIJHAVLCGMKZBY-UHFFFAOYSA-N	280.714	0.566	70	30	CCIC	
O=C(O)c1nn2c(c1S(=O)(=O)Cl)OCCC2	103635552	AVSAJXXSHLSZDR-UHFFFAOYSA-N	266.662	0.291	70	30	CCIC	
CNS(=O)(=O)c1ccccc1S(=O)(=O)Cl	59442636	DSLSFIRQCLGHMG-UHFFFAOYSA-N	269.731	0.522	70	30	CCIC	in-vitro
NS(=O)(=O)c1ccccc1S(=O)(=O)Cl	100595345	FWTIELKMNFYUEN-UHFFFAOYSA-N	255.704	0.262	70	30	CCIC	in-vitro
O=C1NS(=O)(=O)c2ccc(S(=O)(=O)Cl)cc21	238851100	FAMOQWHXWQHRKR-UHFFFAOYSA-N	281.698	0.046	70	30	CCIC	
O=S(=O)(Cl)CCS(=O)(=O)C(F)(F)F	216711686	FXYGMSFYPJQLHE-UHFFFAOYSA-N	260.642	0.490	70	30	CCIC	
N#CC1(OCCS(=O)(=O)Cl)CCOCC1	379853260	JOTSBEQAAVDWFP-UHFFFAOYSA-N	253.707	0.644	70	30	CCIC	
O=C1NCCOc2ccc(S(=O)(=O)Cl)cc21	97956502	ZGRKUHQSLAKKEJ-UHFFFAOYSA-N	261.686	0.736	70	30	CCIC	
O=C(C1CCCC1)N1CC(S(=O)(=O)Cl)C1	97971473	YQHUVWISAHUGSF-UHFFFAOYSA-N	251.735	0.956	70	30	CCIC	in-vitro
COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@H]1N	218394408	ZIZNMTWCAYMOEM-VIFPVBQESA-N	260.334	0.944	70	30	CCIC	
O=C1CC2(CCOCC2)[C@H](CS(=O)(=O)Cl)O1	675053896	QUIXAMDJNRIZEZ-ZETCQYMHSA-N	268.718	0.667	70	30	CCIC	
CCNS(=O)(=O)c1ccccc1S(=O)(=O)Cl	100501750	DTNZYWKIJDTDRJ-UHFFFAOYSA-N	283.758	0.912	70	30	CCIC	in-vitro
Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Cl	97971479	KANFUIOTPWCHGF-UHFFFAOYSA-N	265.766	0.989	70	30	CCIC	in-vitro
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@]2(S(=O)(=O)F)C1	2265384911	GYIWZZSSXVTXKA-KWQFWETISA-N	294.348	0.495	70	30	CCIC	
CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@@]2(S(=O)(=O)F)C1	2265384909	GYIWZZSSXVTXKA-GZMMTYOYSA-N	294.348	0.495	70	30	CCIC	
CCOC(=O)c1nc2ncc(S(=O)(=O)Cl)cn2n1	238851093	FAADPSSFFKLRJR-UHFFFAOYSA-N	290.688	0.229	70	30	CCIC	
CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Cl	100503144	FNMSCHBHAKRZMZ-UHFFFAOYSA-N	283.758	0.864	70	30	CCIC	in-vitro
CCOC(=O)C(=O)c1cc(S(=O)(=O)Cl)cn1C	238854503	OAZDQMWUMUJLAF-UHFFFAOYSA-N	279.701	0.698	70	30	CCIC	
NC(=O)c1cc(C(=O)O)cc(S(=O)(=O)Cl)c1	59221999	ONUSMLVZXXQCTP-UHFFFAOYSA-N	263.658	0.411	70	30	CCIC	in-vitro
O=S(=O)(Cl)c1[nH]cc2c1CCS2(=O)=O	100644560	YQIDYDXPPYGKDH-UHFFFAOYSA-N	255.704	0.272	70	30	CCIC	
CC(C)(C)OC(=O)NC1CN(S(=O)(=O)Cl)C1	307024467	WENNPQMKQGVASU-UHFFFAOYSA-N	270.738	0.679	70	30	CCIC	
CC(C)(C)OC(=O)N1C[C@H]2CNC[C@]2(S(=O)(=O)F)C1	2265384910	GYIWZZSSXVTXKA-KCJUWKMLSA-N	294.348	0.495	70	30	CCIC	
Cn1ncc(C2OCCO2)c1S(=O)(=O)Cl	675050650	GBYBIHURTMOMGW-UHFFFAOYSA-N	252.679	0.393	70	30	CCIC	
Cn1nnc(Br)c1S(=O)(=O)Cl	100546705	VHYXGVXXJULRJF-UHFFFAOYSA-N	260.500	0.505	70	30	CCIC	
NS(=O)(=O)c1ccc(S(=O)(=O)Cl)c(F)c1	100589949	FWLXUXKNSGRPDX-UHFFFAOYSA-N	273.694	0.401	70	30	CCIC	
CCOC(=O)c1cc(CS(=O)(=O)Cl)on1	100448899	XCQKYURQOZNDPO-UHFFFAOYSA-N	253.663	0.920	70	30	CCIC	in-vitro