smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1(CS(=O)(=O)Cl)CCCCCC1	306519177	IJGYIBDYGSELBP-UHFFFAOYSA-N	224.753	2.916	70	30	BFIC	
C=C(C)COc1cccc(S(=O)(=O)Cl)c1	108297282	CYQMPUPEHFXNPT-UHFFFAOYSA-N	246.715	2.569	70	30	BFIC	
F[B-](F)(F)C1=CCN(c2nccs2)CC1	238701431	VFCSOCKSDZIADU-UHFFFAOYSA-N	233.047	2.666	70	30	BFIC	
O=S(=O)(Cl)c1cscc1C(F)F	675049953	BSFPEQJZXAFBAK-UHFFFAOYSA-N	232.660	2.613	70	30	BFIC	
CCC(=O)Oc1ccc(CBr)cc1	113921741	DFPVRTCKIAJFPB-UHFFFAOYSA-N	243.100	2.897	70	30	BFIC	
CC(F)(F)C(F)(F)CBr	137483412	YTSWJCXLMABRQX-UHFFFAOYSA-N	208.980	2.672	70	30	BFIC	
Cc1cc(F)c(S(=O)(=O)Cl)c(Cl)c1	306589007	WLKBVAKQQIKHGZ-UHFFFAOYSA-N	243.086	2.715	70	30	BFIC	
Cc1ccc(N=[N+]=[N-])cc1S(=O)(=O)Cl	1536220702	YQACOKQQEXNDCU-UHFFFAOYSA-N	231.664	2.864	70	30	BFIC	
Fc1ccc2c(c1)CC[C@H](CBr)O2	150134197	UYDKCUSMTFGMGZ-SECBINFHSA-N	245.091	2.914	70	30	BFIC	
Fc1ccc2c(c1)CC[C@@H](CBr)O2	150135182	UYDKCUSMTFGMGZ-VIFPVBQESA-N	245.091	2.914	70	30	BFIC	
CC[C@@H](Cc1ccccc1)S(=O)(=O)Cl	116394237	LRAUICFQVYMASO-JTQLQIEISA-N	232.732	2.576	70	30	BFIC	
COc1ccc(/C=C(\C)S(=O)(=O)Cl)cc1	104086096	VJDDIMQVDOARJB-BQYQJAHWSA-N	246.715	2.625	70	30	BFIC	
Oc1ccc2cc([B-](F)(F)F)ccc2c1	199701360	YCFDDHLORQGPPF-UHFFFAOYSA-N	210.971	2.600	70	30	BFIC	
O=S(=O)(Cl)c1ccc(Cl)c(F)c1F	307307937	WFUYHAFUHLSJPD-UHFFFAOYSA-N	247.049	2.546	70	30	BFIC	
Cc1cccc(S(=O)(=O)Cl)c1Cl	59654417	IAKXJOYJKYIHFR-UHFFFAOYSA-N	225.096	2.576	70	30	BFIC	in-vitro
CCC(F)(F)C(C)(C)CS(=O)(=O)Cl	521398940	MFGIYYXNZOJTJY-UHFFFAOYSA-N	234.695	2.627	70	30	BFIC	
O=S(=O)(Cl)c1cc(C(F)F)ccc1F	217626360	WBBRFBYUCDBVBC-UHFFFAOYSA-N	244.621	2.691	70	30	BFIC	
CCCc1ccc(S(=O)(=O)Cl)s1	104553815	SRVCJYZNEPLRHN-UHFFFAOYSA-N	224.734	2.628	70	30	BFIC	
Cc1sc(C)c(S(=O)(=O)Cl)c1C	104539183	BTUIDLJGXGIFEX-UHFFFAOYSA-N	224.734	2.601	70	30	BFIC	
CC(C)(C)OC(=O)NCCC[B-](F)(F)F	703344754	KMZAAXAVVSKRBB-UHFFFAOYSA-N	226.027	2.749	70	30	BFIC	
O=S(=O)(Cl)c1csc(C(F)F)c1	257824647	BQMQBPVXKCVSAE-UHFFFAOYSA-N	232.660	2.613	70	30	BFIC	
CCOC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[B-](F)(F)F	2265385423	WCXNGTVLQVXXBO-XGEHTFHBSA-N	233.018	2.589	70	30	BFIC	
O=S(=O)(Cl)CCC1CCCCC1	104543427	NEPCXDYTIJHPQM-UHFFFAOYSA-N	210.726	2.525	70	30	BFIC	
CC[SiH](O[Si](C)(C)C)O[Si](C)(C)C	225595594	FOLNDEOXOGUWTR-UHFFFAOYSA-N	236.536	2.930	70	30	BFIC	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CS(=O)(=O)Cl	950757314	SOROUEYUSBJMAF-CIUDSAMLSA-N	236.764	2.627	70	30	BFIC	
O=S(=O)(Cl)CC[C@@H]1CCCCC1(F)F	257887142	GGYVAXOGSVZAIS-ZETCQYMHSA-N	246.706	2.771	70	30	BFIC	
CC1(C)CCCC[C@@H]1CS(=O)(=O)Cl	216129646	NGWCOIJHOMYXAH-MRVPVSSYSA-N	224.753	2.771	70	30	BFIC	
CC[C@H](CC(F)(F)F)CS(=O)(=O)Cl	402482025	LBSHXYFERNUZIS-RXMQYKEDSA-N	238.658	2.534	70	30	BFIC	
O=S(=O)(Cl)c1ccc(F)c(C(F)F)c1	616582245	KICJEJSHKXTMQT-UHFFFAOYSA-N	244.621	2.691	70	30	BFIC	
CC1(C)CCC(CS(=O)(=O)Cl)CC1	211213292	QBGLZLOEVLBHOL-UHFFFAOYSA-N	224.753	2.771	70	30	BFIC	
O=S(=O)(Cl)c1ccccc1C(F)F	104541085	HOHYZHBHYKDMAT-UHFFFAOYSA-N	226.631	2.552	70	30	BFIC	
O=S(=O)(Cl)CC1CCC2(CC1)CC2	575512994	WRDUYBGZNNJROS-UHFFFAOYSA-N	222.737	2.525	70	30	BFIC	
CCCc1ccc(CS(=O)(=O)Cl)cc1	106639364	STCXNRPJJNSRRL-UHFFFAOYSA-N	232.732	2.708	70	30	BFIC	
O=S(=O)(Cl)C1=Cc2ccccc2CCC1	757092511	ILHLUDARNCAVJV-UHFFFAOYSA-N	242.727	2.932	70	30	BFIC	
CCc1cccc(CC)c1S(=O)(=O)Cl	100625626	YQPLJLXHJANWKP-UHFFFAOYSA-N	232.732	2.739	70	30	BFIC	
Fc1ccc(C(F)(F)F)cc1[B-](F)(F)F	203319136	KNTFZVODMYOPDH-UHFFFAOYSA-N	230.899	2.899	70	30	BFIC	
CC1(C)C[C@H](CCBr)CCO1	118277761	NTPTZPGXPVRHNC-MRVPVSSYSA-N	221.138	2.977	70	30	BFIC	
CC(C)(CCS(=O)(=O)Cl)C(F)(F)F	220745642	MNFZSHOTWMHPTM-UHFFFAOYSA-N	238.658	2.534	70	30	BFIC	
CC1(CCI)CC1	144097943	MNCIURSBKLEJBM-UHFFFAOYSA-N	210.058	2.612	70	30	BFIC	
F[B-](F)(F)C1=CCN(c2cccnc2)CC1	309611658	NMNJKTUOFCWVFU-UHFFFAOYSA-N	227.018	2.605	70	30	BFIC	
CC1(C)C[C@@H](CCBr)CCO1	118277760	NTPTZPGXPVRHNC-QMMMGPOBSA-N	221.138	2.977	70	30	BFIC	
O=S(=O)(Cl)Cc1cc(Cl)ccc1F	100443992	INWXMMCWWWQZNJ-UHFFFAOYSA-N	243.086	2.548	70	30	BFIC	in-vitro
Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1F	216983163	ILWRQBDMMUXIQV-UHFFFAOYSA-N	236.695	2.678	70	30	BFIC	
O=S(=O)(Cl)/C=C(\F)c1ccccc1	238850643	CGPXKURCIDYBMB-UHFFFAOYSA-N	220.652	2.523	70	30	BFIC	
CC1(C)CCCC[C@H]1CS(=O)(=O)Cl	216129688	NGWCOIJHOMYXAH-QMMMGPOBSA-N	224.753	2.771	70	30	BFIC	
CCCc1cccc(S(=O)(=O)Cl)c1	135271477	XJMCHQIUSIZYNW-UHFFFAOYSA-N	218.705	2.567	70	30	BFIC	
CC(C)c1ccccc1S(=O)(=O)Cl	100543951	VHORYVBOBIUIDS-UHFFFAOYSA-N	218.705	2.738	70	30	BFIC	in-vitro
O=S(=O)(Cl)CC1(F)CCCCCC1	238855067	QHMXRYVSQOLXJH-UHFFFAOYSA-N	228.716	2.618	70	30	BFIC	in-vitro
C[C@H](c1ccc(F)cc1F)S(=O)(=O)Cl	88251149	PGXQRTXZBPKGSN-RXMQYKEDSA-N	240.658	2.594	70	30	BFIC	in-vitro
O=S(=O)(Cl)CCCC1CCCC1	106892046	WGBSUZOEGJWFDL-UHFFFAOYSA-N	210.726	2.525	70	30	BFIC	
C=CCCc1ccc(S(=O)(=O)Cl)cc1	584883970	XXRZZFWETWZDON-UHFFFAOYSA-N	230.716	2.733	70	30	BFIC	
O=S(=O)(Cl)C[C@@H]1CCCc2ccccc21	113475708	PKBCSRHULHVDQN-JTQLQIEISA-N	244.743	2.675	70	30	BFIC	
C=CCCc1ccccc1S(=O)(=O)Cl	148645927	VNZKILOJZVUIBZ-UHFFFAOYSA-N	230.716	2.733	70	30	BFIC	
C=CC[SiH](O/N=C(\C)CC)O/N=C(\C)CC	299803449	QKHSIAXEBBLQAI-DCIPZJNNSA-N	242.395	2.998	70	30	BFIC	
CC(C)(CC(F)(F)F)CS(=O)(=O)Cl	220745565	RXZFJNRATDWBQN-UHFFFAOYSA-N	238.658	2.534	70	30	BFIC	
CC(C)Cc1ccc(S(=O)(=O)Cl)s1	100003863	LPMKYOIOSMZHLB-UHFFFAOYSA-N	238.761	2.874	70	30	BFIC	
CCc1ccc(S(=O)(=O)Cl)cc1Cl	104539533	NXROGOARSHZAKU-UHFFFAOYSA-N	239.123	2.830	70	30	BFIC	
O=S(=O)(Cl)c1ccc(C2CC2)cc1F	141882401	PGYYTFLCBIPQQK-UHFFFAOYSA-N	234.679	2.631	70	30	BFIC	
O=S(=O)(Cl)CC[C@H]1CCCCC1(F)F	257887140	GGYVAXOGSVZAIS-SSDOTTSWSA-N	246.706	2.771	70	30	BFIC	
Cc1cc(Cl)cc(C)c1S(=O)(=O)Cl	104543326	YBRSOTPKWGXHHD-UHFFFAOYSA-N	239.123	2.884	70	30	BFIC	
CC1(CS(=O)(=O)Cl)CCCCC1	97971475	WIDKNGWZMIHFST-UHFFFAOYSA-N	210.726	2.525	70	30	BFIC	
CC[C@H](Cc1ccccc1)S(=O)(=O)Cl	116394239	LRAUICFQVYMASO-SNVBAGLBSA-N	232.732	2.576	70	30	BFIC	
N#CCC[Si](Cl)(Cl)c1ccccc1	195763185	NVPJPRQHVOYMHE-UHFFFAOYSA-N	230.170	2.727	70	30	BFIC	
C=CC(=O)OCCC[Si](C)(C)Cl	195945285	CSBJCQMIXISILC-UHFFFAOYSA-N	206.745	2.550	70	30	BFIC	
O=S(=O)(Cl)Cc1ccc(C(F)F)cc1	124661014	VKSCZUPWXLIQFV-UHFFFAOYSA-N	240.658	2.693	70	30	BFIC	in-vitro
O=S(=O)(Cl)c1cccc(C(F)F)c1	100503402	VPMCMNLJRWHISM-UHFFFAOYSA-N	226.631	2.552	70	30	BFIC	in-vitro
CC1(C)C2CCC1(CS(=O)(=O)Cl)CC2	104547501	BSBVLFMMUQQATK-UHFFFAOYSA-N	236.764	2.771	70	30	BFIC	
O=[N+]([O-])c1ccc(F)c(CCBr)c1	141498424	GFFYLYCLNGJLLX-UHFFFAOYSA-N	248.051	2.671	70	30	BFIC	
O=S(=O)(Cl)C1CCC2(CCC2)CC1	1536220154	UDKSTTCXBVLBIF-UHFFFAOYSA-N	222.737	2.668	70	30	BFIC	
O=S(=O)(Cl)c1ccc(C(F)F)c(F)c1	217626696	DBPHVVCNTQAJGA-UHFFFAOYSA-N	244.621	2.691	70	30	BFIC	
C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cl	106470298	UOICXYNGBTXAHC-LURJTMIESA-N	239.123	2.970	70	30	BFIC	
O=[N+]([O-])c1ccc(F)cc1CCBr	142590586	VYNTVOFOGBPPMR-UHFFFAOYSA-N	248.051	2.671	70	30	BFIC	
CC(C)(C)c1ccccc1S(=O)(=O)Cl	100648474	ICXIVBYQRNOIJJ-UHFFFAOYSA-N	232.732	2.912	70	30	BFIC	
CC(C)(C)C12CC(S(=O)(=O)Cl)(C1)C2	2265361400	BOFWPTAIRPDQAN-UHFFFAOYSA-N	222.737	2.524	70	30	BFIC	
C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cl	106470302	UOICXYNGBTXAHC-ZCFIWIBFSA-N	239.123	2.970	70	30	BFIC	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CS(=O)(=O)Cl	950757315	SOROUEYUSBJMAF-XHNCKOQMSA-N	236.764	2.627	70	30	BFIC	
O=S(=O)(Cl)Cc1ccc2sccc2c1	100096675	VBIGUAGJUJGFCX-UHFFFAOYSA-N	246.740	2.970	70	30	BFIC	
O=S(=O)(Cl)/C=C/c1cccc(Cl)c1	100490902	NSMOTSSAVGZLGC-SNAWJCMRSA-N	237.107	2.879	70	30	BFIC	
CNc1ccccc1CNC(=O)OC(C)(C)C	216952632	JELKXGNIYCDHKS-UHFFFAOYSA-N	236.315	2.753	70	30	BFIC	
O=S(=O)(Cl)C[C@H]1CCCc2ccccc21	113475706	PKBCSRHULHVDQN-SNVBAGLBSA-N	244.743	2.675	70	30	BFIC	
Cc1cc(Cl)cc(F)c1S(=O)(=O)Cl	306819479	LEHKADGPJZOXLP-UHFFFAOYSA-N	243.086	2.715	70	30	BFIC	
F[B-](F)(F)c1ccc(C(F)(F)F)s1	307279865	XUPCORGSCNKNMD-UHFFFAOYSA-N	218.938	2.821	70	30	BFIC	
O=S(=O)(Cl)C1CC(c2ccccc2)C1	307145937	NBTUKYYILZUSHI-UHFFFAOYSA-N	230.716	2.501	70	30	BFIC	
CC(F)(F)c1ccccc1S(=O)(=O)Cl	217126368	YTAASPNHFRBFRN-UHFFFAOYSA-N	240.658	2.726	70	30	BFIC	
C[Si](C)(C)O[Si](Cl)(Cl)Cl	196814284	BGBCSHOMEDPNEI-UHFFFAOYSA-N	223.635	2.990	70	30	BFIC	
CCc1ccc(S(=O)(=O)Cl)cc1CC	100463729	POFJTJWGZDPGGE-UHFFFAOYSA-N	232.732	2.739	70	30	BFIC	in-vitro
COc1ccc2c(c1Br)CCCN2	217408675	ZYGPBQQWGGYATD-UHFFFAOYSA-N	242.116	2.816	70	30	BFIC	
Cc1noc(C)c1-c1cnc2cc[nH]c2c1	218065498	FQVZFGLWZZXRKG-UHFFFAOYSA-N	213.240	2.835	70	30	BFIC	
C#Cc1ccc(CCBr)cc1	148995651	QRLTXERBYWASMI-UHFFFAOYSA-N	209.086	2.605	70	30	BFIC	
CC(F)(F)c1ccc(S(=O)(=O)Cl)cc1	217126384	HIPMRARAXOHAEY-UHFFFAOYSA-N	240.658	2.726	70	30	BFIC	
Br[C@@H]1CC[C@H]2[C@H]3C=C[C@H](C3)[C@H]21	144057554	XXAHSUCCKFIJPJ-SQXHDICFSA-N	213.118	2.982	70	30	BFIC	
O=S(=O)(Cl)CC1CCCCCC1	104535426	PFVAQJVYDIIETE-UHFFFAOYSA-N	210.726	2.525	70	30	BFIC	
Cc1cc(S(=O)(=O)Cl)cc(C)c1Cl	104546232	BRVZJSWNJAMLJF-UHFFFAOYSA-N	239.123	2.884	70	30	BFIC	
C[Si](Cl)(Cl)c1ccc(F)cc1	196418238	QTLAJGKMUZGZHV-UHFFFAOYSA-N	209.123	2.582	70	30	BFIC	
O=S(=O)(Cl)Cc1cccc(Cl)c1F	104542583	NRQSNKNXNNTYNX-UHFFFAOYSA-N	243.086	2.548	70	30	BFIC	
O=S(=O)(Cl)c1ccc2ccccc2c1F	136312261	MQEXMRIWJCASOJ-UHFFFAOYSA-N	244.674	2.906	70	30	BFIC	
O=S(=O)(Cl)c1cccc2sccc12	100719350	QKUWOOFBLGREHD-UHFFFAOYSA-N	232.713	2.829	70	30	BFIC	
C[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cl	88251147	PGXQRTXZBPKGSN-YFKPBYRVSA-N	240.658	2.594	70	30	BFIC	in-vitro
CC[C@@H](CC(F)(F)F)CS(=O)(=O)Cl	402482027	LBSHXYFERNUZIS-YFKPBYRVSA-N	238.658	2.534	70	30	BFIC