smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(Cl)cc2cc(CCCCl)c(Cl)nc12	32099375	VKQXIIDWQUPIRE-UHFFFAOYSA-N	288.605	5.021	50	30	CKGC	
BrSc1ccccc1/N=N/c1ccccc1	100141320	OGLDNEGRIQZFIY-CCEZHUSRSA-N	293.189	5.504	50	30	CKGC	
Cc1cc(C)cc(SSc2ccc(C)c(C)c2)c1	6071210	GYARJWYKQJZMPX-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
CC1(C)CC2(CCC(C(C)(C)C)CC2)CC(C)(C)OO1	604970866	OQAPBNAKGMJABF-UHFFFAOYSA-N	282.468	5.508	50	30	CKGC	
CCCCCCCCCCCCCCCC(=O)NN(C)C	103841095	BHDMUWYOIUEAJB-UHFFFAOYSA-N	298.515	5.061	50	30	CKGC	
CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C#N)C(C)(C)CCC1	97743701	LKTQCZNCSHAYSX-BOOMUCAASA-N	281.443	6.042	50	30	CKGC	
CCCC/C=C/CCC#CCCCCCCCl	111421161	QZOPJHLCHHFHTC-AATRIKPKSA-N	254.845	5.706	50	30	CKGC	
Clc1ccc(Oc2cccc(CBr)c2)cc1	34349947	WNXOJUBUEPIETE-UHFFFAOYSA-N	297.579	5.027	50	30	CKGC	
CCCCCCCCOc1ccc(CCl)cc1	104622598	OFVQMKNVOIJMNJ-UHFFFAOYSA-N	254.801	5.165	50	30	CKGC	
Cc1cc(C)cc(SSc2c(C)cccc2C)c1	6071755	MMXSWXFYBANZPN-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
Clc1cccc(Oc2ccc(CBr)cc2)c1	34288797	RZKYIFFJEZCGBB-UHFFFAOYSA-N	297.579	5.027	50	30	CKGC	
BrCc1ccc2cccc3c2c1-c1ccccc1-3	95670388	RAFILKBKMFMKKU-UHFFFAOYSA-N	295.179	5.382	50	30	CKGC	
Cc1cc(C)cc(SSc2ccc(C)cc2C)c1	6070599	ODOGSCCHVYNOSE-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Cl	36421932	MAAVGFJWXMUHAT-QNEBEIHSSA-N	296.882	6.341	50	30	CKGC	in-vitro
CCCCCCCCCCCCCCC/C=C/C=O	59725594	AHQSSWHOKBCJFA-WUKNDPDISA-N	266.469	6.223	50	30	CKGC	in-vitro
N#C/C(=C\c1ccc(Cl)cc1)c1ccccc1Cl	72235	JBMKSGOWYLYNFD-FMIVXFBMSA-N	274.150	5.058	50	30	CKGC	
CC(C)=CCC/C(C)=C\CC/C(C)=C\CBr	66349260	FOFMBFMTJFSEEY-FBXUGWQNSA-N	285.269	5.801	50	30	CKGC	
CCCCCCCCCCCC[C@H](Cl)c1ccccc1	95810756	ISXDOPCKEDRLAY-IBGZPJMESA-N	294.910	7.278	50	30	CKGC	
Cc1cccc(SSc2c(C)cccc2C)c1C	6071655	YASJBOGVCIGVND-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
CCCCCCCCCc1ccc(OCCCl)cc1	100108186	OBCNFGRCVPJZEP-UHFFFAOYSA-N	282.855	5.597	50	30	CKGC	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OO	95720873	DRKSTAFYCRUMEE-HZJYTTRNSA-N	296.451	5.816	50	30	CKGC	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(Cl)C(C)C	141317639	KHHVPVMIKZCKLI-RYFSFTGQSA-N	264.777	5.423	50	30	CKGC	
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](C(Cl)Cl)CC2)CC1	267329067	QLQOEVUDATZFQL-KTSLABGISA-N	291.306	6.203	50	30	CKGC	
Fc1ccc(C(=CCCCl)c2ccc(F)cc2)cc1	90500627	SGZXIWYCGSJFEF-UHFFFAOYSA-N	278.729	5.025	50	30	CKGC	
SCCCCCCCCCCCCBr	115352776	GQIVVUUQQAXEMO-UHFFFAOYSA-N	281.303	5.212	50	30	CKGC	
Clc1cc(CBr)ccc1Oc1ccccc1	218146709	LKPBMJHJHYPQHP-UHFFFAOYSA-N	297.579	5.027	50	30	CKGC	
CCCCCCCCCCCCCCCCCCl	111367834	FGIOHOBVUCNHBY-UHFFFAOYSA-N	274.920	7.097	50	30	CKGC	
C[C@@H]1C(C)(C)CCC(C)(C)[C@@H](C)C(C)(C)OOC1(C)C	223564631	FLBKZHQVUPRSTR-ZIAGYGMSSA-N	284.484	5.610	50	30	CKGC	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(Cl)C(C)C	141317272	KHHVPVMIKZCKLI-QMCPWEQMSA-N	264.777	5.423	50	30	CKGC	
Cc1ccc(C)c(SSc2c(C)cccc2C)c1	6070688	SVSLLOZMPLCVED-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
C[C@H]1C(C)(C)CCC(C)(C)[C@@H](C)C(C)(C)OOC1(C)C	223564513	FLBKZHQVUPRSTR-OKILXGFUSA-N	284.484	5.610	50	30	CKGC	
CC(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	198463317	JQILYDYGZWFOGB-UHFFFAOYSA-N	290.596	5.376	50	30	CKGC	
CC1=C(CC/C(C)=C/C=O)[C@]2(C)CCCC(C)(C)[C@H]2CC1	96336269	MXYNLAVXJVCXNM-JAGYYFLNSA-N	288.475	5.855	50	30	CKGC	
CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCl)CC2)CC1	267326318	JDXXKBBIIIQJEX-OPMHRUBESA-N	284.915	6.418	50	30	CKGC	
CC[Si](CC)(CC)OCCO[Si](CC)(CC)CC	195758697	JXRYYLOLIYLWHG-UHFFFAOYSA-N	290.596	5.030	50	30	CKGC	
CC(C)(C)OCCCCCCCCCCBr	34573755	QVHWZTMGKJDPGL-UHFFFAOYSA-N	293.289	5.317	50	30	CKGC	
C[C@@H](Br)c1ccc(Cl)c(Cl)c1Cl	138318753	XDSGRXZVWLPNTE-SCSAIBSYSA-N	288.399	5.103	50	30	CKGC	
CCCCCc1ccc(-c2ccc(C(=O)Cl)cc2)cc1	5821140	PAXFBGZCRAEDBM-UHFFFAOYSA-N	286.802	5.465	50	30	CKGC	
C/C(=C/C#N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1	39043394	XIJAKNMIOYDTOJ-JYRVWZFOSA-N	255.405	5.208	50	30	CKGC	
Cc1cc(Cl)ccc1Oc1ccc(CCl)cc1	20437008	GQPDBRPDLGAQBS-UHFFFAOYSA-N	267.155	5.180	50	30	CKGC	in-vitro
ClC(Cl)(Cl)P(Cl)(Cl)(Cl)Cl	95670793	KVNRUJHTQABFKZ-UHFFFAOYSA-N	291.156	5.483	50	30	CKGC	
CCCCC#CCCC#CCCCCCCCl	90424754	KALOSERCJZNJMW-UHFFFAOYSA-N	252.829	5.153	50	30	CKGC	
C1=C(c2ccccc2)SSC(c2ccccc2)=C1	6096030	TWFJKRAZUIJOSQ-UHFFFAOYSA-N	268.406	5.464	50	30	CKGC	
CCCCC/C=C(/CC=O)CCCCCC/C=C\C=O	223458200	DEPXVPCOOUDJBD-HJCGTWLWSA-N	278.436	5.178	50	30	CKGC	
ClCc1ccc2c3c(cccc13)-c1ccccc1-2	95793219	HNQCQEGJQSCZMU-UHFFFAOYSA-N	250.728	5.226	50	30	CKGC	
CCCCCCCCCCCC[C@@H](Cl)c1ccccc1	95810757	ISXDOPCKEDRLAY-LJQANCHMSA-N	294.910	7.278	50	30	CKGC	
Cc1ccc(SSc2c(C)cccc2C)c(C)c1	6070598	BMOJFIQTZGTZOA-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
Cc1ccc2sc(-c3ccc(CCl)cc3)nc2c1	37194628	YAPJKMGSXVDYII-UHFFFAOYSA-N	273.788	5.011	50	30	CKGC	in-vitro
C[C@H]1C(C)(C)CCC(C)(C)[C@H](C)C(C)(C)OOC1(C)C	223564570	FLBKZHQVUPRSTR-KBPBESRZSA-N	284.484	5.610	50	30	CKGC	
ClCc1ccc(-c2nc3cccc(Cl)c3s2)cc1	37205114	ILEOBPMTKVNAOM-UHFFFAOYSA-N	294.206	5.356	50	30	CKGC	in-vitro
Cc1ccc(SSc2cc(C)ccc2C)c(C)c1	6070600	GPIVSAFVQWEQOE-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
Cc1cc(C)cc(SSc2cc(C)ccc2C)c1	6070689	CERCBEMZIKCJRI-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
CCCCCCCCCCCC[Si](C)(C)CCl	195751414	YUWMHVAIAHCLSE-UHFFFAOYSA-N	276.968	6.394	50	30	CKGC	
N#C/C(=C\c1ccc(F)cc1)c1csc2ccccc12	13468768	PINCQMJKLSZFEO-UKTHLTGXSA-N	279.339	5.105	50	30	CKGC	
C[C@H](Br)c1ccc(Cl)c(Cl)c1Cl	138318635	XDSGRXZVWLPNTE-BYPYZUCNSA-N	288.399	5.103	50	30	CKGC	
Cc1ccc(Cl)c2cc(CCCCl)c(Cl)nc12	32099373	GSXJOMGMWNSKCH-UHFFFAOYSA-N	288.605	5.021	50	30	CKGC	
N#C/C(=C\c1cccc(Cl)c1)c1cccc(Cl)c1	72783	JTVDFTRRTYDIIZ-NTUHNPAUSA-N	274.150	5.058	50	30	CKGC	
Cc1c(Cl)ccc2cc(CCCCl)c(Cl)nc12	32099377	SFAGEJWJLSBZHW-UHFFFAOYSA-N	288.605	5.021	50	30	CKGC	
BrCc1ccc2c3c(cccc13)-c1ccccc1-2	95670389	ULFISVXZDJQFKQ-UHFFFAOYSA-N	295.179	5.382	50	30	CKGC	
Cc1ccc(SSc2c(C)cccc2C)cc1C	6071756	OZWDRTMANSFLHH-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
CCCCCCCCCCCCc1ccccc1CCl	115256404	ZSKXYSCQDWAUCM-UHFFFAOYSA-N	294.910	6.889	50	30	CKGC	
FC(F)(F)c1ccc(S(F)(F)(F)(F)F)cc1	103009856	WTXZCQWVJMGRLU-UHFFFAOYSA-N	272.160	5.363	50	30	CKGC	
Cc1cc(C)cc(SSc2cccc(C)c2C)c1	6071656	FUKWNYMTHBJUBG-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
Cc1ccc(SSc2cccc(C)c2C)c(C)c1	6070602	NLUOYJAEFWYGLA-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
N#C/C(=C\c1c(F)cccc1Cl)c1cccc(Cl)c1	150308	RLEHZRILVKXFRO-DHZHZOJOSA-N	292.140	5.197	50	30	CKGC	
Cc1cc(C)cc(SSc2cc(C)cc(C)c2)c1	6069936	IRDMKAMOSXNGFZ-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
CCCC/C=C\CCCCCCCCC/C=C/C=O	21982904	NCFULMZVHNTQOK-RAPDCGKPSA-N	264.453	5.999	50	30	CKGC	in-vitro
O=C(Cl)N1c2ccccc2Sc2ccc(Cl)cc21	33506334	WIUVDRZGTJXTCE-UHFFFAOYSA-N	296.178	5.302	50	30	CKGC	
Cc1ccc(SSc2cccc(C)c2C)cc1C	6071657	MLRBPQOZJFAPBS-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
Cc1ccc(SSc2ccc(C)c(C)c2)c(C)c1	6070601	NTODTBOPMAMSQG-UHFFFAOYSA-N	274.454	5.720	50	30	CKGC	
CCCCCCCCCCCC[Si](C)(C)OC	197222567	ZDULQMIWFCXDOX-UHFFFAOYSA-N	258.522	5.759	50	30	CKGC	
Fc1ccc(/C(=C\CCCl)c2ccc(Cl)cc2)cc1	111892975	KGGHMPJQVZWWES-CFZMTHNTSA-N	295.184	5.540	50	30	CKGC	
CC(C)CCCCCCCCCCCCC(=O)Cl	59203451	IDFHDQVZMFKVIW-UHFFFAOYSA-N	274.876	6.089	50	30	CKGC	
IC1CCCCCCCCCCC1	137261952	FXQHFVJEECQKAU-UHFFFAOYSA-N	294.220	5.095	50	30	CKGC	
CCCCCCCCCCCC(=O)OOC(C)(C)C	100114605	JZFHXRUVMKEOFG-UHFFFAOYSA-N	272.429	5.181	50	30	CKGC