smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC[C@@H](Cl)/P=N/P(Cl)N(Cl)P(Cl)Cl	218496381	AURDJSMUWMIXKK-TZVGOHQPSA-N	340.282	6.717	50	30	EKGC	
CS[C@](C)(CC(C)C)SS[C@@](C)(CC(C)C)SC	223615588	OUHWSESBPUAXCG-KBPBESRZSA-N	326.662	6.618	50	30	EKGC	
N#C/C(=C\c1cccc(Cl)c1Cl)c1nc2ccccc2s1	4323978	TYNAXWWUCKSQKV-DHZHZOJOSA-N	331.227	5.667	50	30	EKGC	
CC(C)(C)c1ccc(OCc2ccccc2)c(CBr)c1	328578498	NMEDWADAVUXJBC-UHFFFAOYSA-N	333.269	5.458	50	30	EKGC	
CC(C)[Si](O[C@H]1CCCC(=O)c2cccnc21)(C(C)C)C(C)C	203628763	LZTSMPYESKABAS-SFHVURJKSA-N	333.548	5.681	50	30	EKGC	
CC(C)(C)[Si](C)(C)O[C@@H]1CCc2cc(Br)ccc21	197218734	XWKDSLSWTQSOIB-CQSZACIVSA-N	327.338	5.458	50	30	EKGC	
ClSSC(c1ccccc1)(c1ccccc1)c1ccccc1	103596760	MWWBLWUGRKHNCT-UHFFFAOYSA-N	342.916	6.514	50	30	EKGC	
Clc1ccc(Cl)c(Oc2ccc(CBr)cc2)c1	218091805	IEEKJTVDPITAOT-UHFFFAOYSA-N	332.024	5.681	50	30	EKGC	
C[Si](C)(C)Oc1cc(O[Si](C)(C)C)cc(O[Si](C)(C)C)c1	195780852	PXHSJMJQTOFLAS-UHFFFAOYSA-N	342.660	5.328	50	30	EKGC	
CC(C)(C)c1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	153242	HXOQPDBCIZUPLU-UHFFFAOYSA-N	337.250	5.048	50	30	EKGC	
BrCc1c2ccccc2c2ccc3cccc4ccc1c2c43	95842470	DMAOOKLAQXNHTK-UHFFFAOYSA-N	345.239	6.632	50	30	EKGC	
CCC[C@@H](N=C(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195764877	PGZADGCNXHLXAG-ZDUSSCGKSA-N	337.549	5.490	50	30	EKGC	
OCCCCCCCCCCCCCCCCCCBr	32227334	KEWZPQXDIJUVFW-UHFFFAOYSA-N	349.397	6.615	50	30	EKGC	
CCN(CC)c1ccc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)o1	223489656	OTQCWVCIQYCQHR-SDNWHVSQSA-N	334.341	5.209	50	30	EKGC	
C[C@H](/C=C(\C#N)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C(C)(C)C)cc1	4381470	AKKLXACNANZOBZ-TWQQJCIXSA-N	348.446	5.678	50	30	EKGC	
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CCl	72400269	CHBIHFLJUKBYRJ-SFHVURJKSA-N	348.955	5.611	50	30	EKGC	in-vitro
C[C@@H](/C=C(\C#N)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C(C)(C)C)cc1	4381471	AKKLXACNANZOBZ-NISQSXRWSA-N	348.446	5.678	50	30	EKGC	
Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)/C(C#N)=C/c1ccccc1	4390677	OBPONUIODJDADT-GZTJUZNOSA-N	347.801	5.698	50	30	EKGC	
N#CSc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1Cl	223458282	DVOHSKAMKIVSIN-UHFFFAOYSA-N	338.219	5.211	50	30	EKGC	
CCN(CCCl)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	111411364	ZSHZJDLVNUANAY-VHEBQXMUSA-N	332.791	5.075	50	30	EKGC	
C[SiH2]CCCCCCCCCCCCCCCC(Cl)Cl	201183781	ZPWGMZCRULHDFI-UHFFFAOYSA-N	339.467	6.887	50	30	EKGC	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	4377442	QQORDZBZTQICMV-SRZZPIQSSA-N	349.261	5.055	50	30	EKGC	
COc1ccc(N[P@@](=O)(Cl)Oc2ccccc2Cl)cc1	105633110	KCDQVKCQPQPGHO-HXUWFJFHSA-N	332.123	5.186	50	30	EKGC	
C=CCCCCCCCCCCCCCCCCBr	59075456	HGBDROSSUKYLIG-UHFFFAOYSA-N	331.382	7.419	50	30	EKGC	
Cc1oc(C(C)(C)C)cc1C(=O)/C(C#N)=C/Nc1ccc(Cl)cc1	113459	FVFRIONWIIDXNE-ACCUITESSA-N	342.826	5.241	50	30	EKGC	
CCC[C@@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100497608	QKFYZDROUPIEQT-HXUWFJFHSA-N	333.435	5.169	50	30	EKGC	
CCC[C@H](N=C(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C	195764878	PGZADGCNXHLXAG-CYBMUJFWSA-N	337.549	5.490	50	30	EKGC	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1	66321	IMBNBIFROMWBTM-MDWZMJQESA-N	341.254	5.788	50	30	EKGC	
CC[C@H](Cl)/P=N/P(Cl)N(Cl)P(Cl)Cl	218496308	AURDJSMUWMIXKK-IZWXUTONSA-N	340.282	6.717	50	30	EKGC	
c1cc2cc(SSc3ccc4sccc4c3)ccc2s1	32171219	ZQVWDXMJJHIGSY-UHFFFAOYSA-N	330.524	6.915	50	30	EKGC	
CC(C)[Si](OCc1cc(Cl)cc(Cl)c1)(C(C)C)C(C)C	196097885	OPTBLIYAMCHJQL-UHFFFAOYSA-N	333.375	6.686	50	30	EKGC	
CCC[Si](CCC)(CCC)O[Si](CCC)(CCC)CCC	195766994	KHQZLUVCZCAMFU-UHFFFAOYSA-N	330.705	7.354	50	30	EKGC	
CCCCCCCCCCCCCCCCCCCCC(=O)Cl	103835241	MJVAHIFGHLKMKL-UHFFFAOYSA-N	345.011	8.184	50	30	EKGC	
Cc1c(C(=O)/C(C#N)=C/c2ccccc2)sc2ccc(Cl)cc12	4365820	ODVYQLYXNNQPQE-NTEUORMPSA-N	337.831	5.653	50	30	EKGC	
ClC1=C(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@H]3[C@H]1[C@H](Cl)C[C@H]32	309539979	GSNLXLNDMLYEEK-JSQHYIIPSA-N	338.876	5.229	50	30	EKGC	
CCc1cc(CC)c(CBr)c(CC)c1CBr	100221544	HPICIYNHRQVDCM-UHFFFAOYSA-N	348.122	5.164	50	30	EKGC	
CC(C)(C)[Si](C)(C)O[C@H]1CCc2cc(Br)ccc21	197218746	XWKDSLSWTQSOIB-AWEZNQCLSA-N	327.338	5.458	50	30	EKGC	
C=Cc1ccc(P(c2ccc(C=C)cc2)c2ccc(C=C)cc2)cc1	217412554	DJLBVUYUIACDIU-UHFFFAOYSA-N	340.406	5.374	50	30	EKGC	
N#C/C(=C\c1cc(Br)cs1)c1nc2ccccc2s1	4323974	CBADOLLFVFDVOG-WEVVVXLNSA-N	347.262	5.184	50	30	EKGC	
BrC(Br)c1cccc(Oc2ccccc2)c1	6116068	XGCVFGOKEISJGC-UHFFFAOYSA-N	342.030	5.267	50	30	EKGC	
CC(C)CCCCCCOP(=O)(c1ccccc1)c1ccccc1	299754741	NIJHXDDKSJAFMK-UHFFFAOYSA-N	344.435	5.539	50	30	EKGC	
CCCCCCCCc1ccc2c(c1)CC[C@H](Br)C2=O	100075002	ZBADJFWIUJXHTL-KRWDZBQOSA-N	337.301	5.482	50	30	EKGC	
CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)C2=O	100075006	ZBADJFWIUJXHTL-QGZVFWFLSA-N	337.301	5.482	50	30	EKGC	
CC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1OC(F)F	204028811	UFZMLFJCEOWMBX-UHFFFAOYSA-N	330.447	5.012	50	30	EKGC	
Br[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1	90469944	PXVGWCYECQPJFN-FQEVSTJZSA-N	337.260	5.955	50	30	EKGC	
CCCCCCCCCCCCCCCCCCCC(=O)Cl	103849763	BXZBGYJQEFZICM-UHFFFAOYSA-N	330.984	7.794	50	30	EKGC	
CS[C@](C)(CC(C)C)SS[C@](C)(CC(C)C)SC	223615632	OUHWSESBPUAXCG-OKILXGFUSA-N	326.662	6.618	50	30	EKGC	
CC(C)(C)OOC(=O)CCCCCCCCCC(=O)OC(C)(C)C	100111439	DGXMTPBLUHFCJR-UHFFFAOYSA-N	344.492	5.112	50	30	EKGC	
CCCCN(C)C(=O)CCCCCCCCCCBr	145620228	ZRFPEJFTRMIWQF-UHFFFAOYSA-N	334.342	5.151	50	30	EKGC	
CCCCCCCCCCCCc1c(N=C=O)cccc1N=C=O	111900636	HOFCVMOJMJPJEW-UHFFFAOYSA-N	328.456	6.085	50	30	EKGC	
Cc1oc(-c2ccccc2)cc1C(=O)/C(C#N)=C\c1ccc(Cl)cc1	13469282	IWMXNLMTXPZLHY-BOPFTXTBSA-N	347.801	5.698	50	30	EKGC	
CCCCCC/C=C\CCCCCCCC(=O)O[Si](C)(C)C	195788864	UNUADFKHVGBUHA-KHPPLWFESA-N	326.597	6.622	50	30	EKGC	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1csc2ccccc12	104510	LUMKLNLDACEEPG-UKTHLTGXSA-N	329.346	5.984	50	30	EKGC	
BrCc1ccc(-c2sccc2Br)cc1	12370821	SLGIHCPFHHVBHA-UHFFFAOYSA-N	332.060	5.073	50	30	EKGC	
Br[C@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1	90469946	DGJADIBNFSHTMY-HXUWFJFHSA-N	337.260	6.032	50	30	EKGC	
CCCCC/C(=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO	85533535	JWXYAGZXXNOGDB-POVSAJHZSA-N	336.472	6.034	50	30	EKGC	
CCCCCCCC/C=C\CCCCCCCCOC(=O)Cl	111487738	WWHPFZLMAISGAI-KTKRTIGZSA-N	330.940	7.399	50	30	EKGC	
CC(C)[Si](O[C@@H]1CCCC(=O)c2cccnc21)(C(C)C)C(C)C	201100388	LZTSMPYESKABAS-GOSISDBHSA-N	333.548	5.681	50	30	EKGC	
N#CC(C#N)=CNc1ccccc1Oc1ccc(Cl)cc1Cl	167439	CFDIJDSBWIUPTG-UHFFFAOYSA-N	330.174	5.129	50	30	EKGC	
N#C/C(=C\c1sccc1Oc1ccccc1)C(=O)c1cccs1	4351687	ZBJSKVKGESVXSR-ACCUITESSA-N	337.425	5.392	50	30	EKGC	
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CCl	72400268	CHBIHFLJUKBYRJ-GOSISDBHSA-N	348.955	5.611	50	30	EKGC	in-vitro
CCCCCCCCCCCCCCCCOC(=O)OOC(C)C	219089087	HWZJYLCXKMZRCN-UHFFFAOYSA-N	344.536	6.961	50	30	EKGC	
CC(C)(C)c1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	152998	ITCNQWACJZBXOX-UHFFFAOYSA-N	337.250	5.048	50	30	EKGC	
CCCCCCCCCCCCCCCCCCO[Si](C)(C)C	195767202	GVPDNFYOFKBFEN-UHFFFAOYSA-N	342.684	8.099	50	30	EKGC	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	4299394	DWEZSONLCJQOTM-WUXMJOGZSA-N	342.147	6.076	50	30	EKGC	
CC(C)(C)Sc1cc(CBr)cc(SC(C)(C)C)c1	44069130	HJYIDUVSYYBHAM-UHFFFAOYSA-N	347.387	6.363	50	30	EKGC	
C[Si](C)(C)OC(=O)CCCc1cn([Si](C)(C)C)c2ccccc12	195781263	IDHDOSYAEAFHDX-UHFFFAOYSA-N	347.607	5.025	50	30	EKGC	
CCCCCCCCCCCCc1ccc(N=C=O)cc1N=C=O	59052653	GYNTWFAMMSEMNZ-UHFFFAOYSA-N	328.456	6.085	50	30	EKGC	
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)Cl	6092775	NVUMAPVZONTQRR-UHFFFAOYSA-N	336.045	5.033	50	30	EKGC	in-vitro
CCN([C@@H](C)c1ccccc1)P(c1ccccc1)c1ccccc1	135982581	RFZQRSJJXVNEJW-IBGZPJMESA-N	333.415	5.117	50	30	EKGC	
CCCC[Sn](CCCC)(CCCC)SC#N	195767760	UNZLNUJIVSVHRQ-UHFFFAOYSA-M	348.144	5.546	50	30	EKGC	
ClC(Cl)CCCCCNSc1nc2ccccc2s1	142157432	WZSIZBYJWQBZPP-UHFFFAOYSA-N	335.325	5.257	50	30	EKGC	
O=P(Cl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	80310886	PMGATFZDMDTJKE-UHFFFAOYSA-N	337.526	5.798	50	30	EKGC	
CCCCCCCCCCCCCCCCCCOOC(=O)O	142006512	SGNOCVPMLRBFTI-UHFFFAOYSA-N	330.509	6.874	50	30	EKGC	
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)Cl	38633838	NRYIEUFYGYSGDQ-UHFFFAOYSA-N	345.053	5.096	50	30	EKGC	
C[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@@H](O[Si](C)(C)C(C)(C)C)C1	202243230	DZZFKLWTWJBVRH-ZFWWWQNUSA-N	348.519	5.194	50	30	EKGC	
COc1cccc(/C=C(/C#N)C(=O)c2cc(-c3ccccc3)oc2C)c1	13469286	NADRAYCBRGTEDS-WQRHYEAKSA-N	343.382	5.054	50	30	EKGC	
Cc1ccc(N/C=C(/C#N)C(=O)c2cc(-c3ccccc3)oc2C)cc1	4364801	DLAYHIHMLNNQSG-JXAWBTAJSA-N	342.398	5.266	50	30	EKGC	
Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12	64622587	IBWBDNBSIFGSLW-UHFFFAOYSA-N	335.244	6.350	50	30	EKGC	in-vitro
CC(C)(C)c1ccc(C=C(C#N)c2ccc(-n3cccc3)cc2)cc1	2265270116	YTOUEPCNYJKZOW-UHFFFAOYSA-N	326.443	5.839	50	30	EKGC	
CCCCCCCCCCCCCCCCSS(C)(=O)=O	72399913	GIJWOCGDZZKJAD-UHFFFAOYSA-N	336.607	6.161	50	30	EKGC	in-vitro
Br[C@@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1	90469945	DGJADIBNFSHTMY-FQEVSTJZSA-N	337.260	6.032	50	30	EKGC	
CS[C@@](C)(CC(C)C)SS[C@](C)(CC(C)C)SC	223615682	OUHWSESBPUAXCG-ZIAGYGMSSA-N	326.662	6.618	50	30	EKGC	
CCCCCCCCCCCCCCCCCC(=O)NN(C)C	80164936	DFSWIGZHDPHBRQ-UHFFFAOYSA-N	326.569	5.841	50	30	EKGC	
Br[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1	90469943	PXVGWCYECQPJFN-HXUWFJFHSA-N	337.260	5.955	50	30	EKGC	
CC(C)(c1ccccc1)c1ccc(OP(=O)(Cl)Cl)cc1	196046825	XSGLFGNCLZBZFV-UHFFFAOYSA-N	329.163	5.977	50	30	EKGC	
C[Si](C)(CCc1ccccc1)O[Si](C)(C)CCc1ccccc1	195900650	ICYXYVDMLIFAIN-UHFFFAOYSA-N	342.631	5.899	50	30	EKGC	
CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCBr	83316796	CKJOMAVHOLGUBD-MLFLMRJSSA-N	339.361	7.137	50	30	EKGC	
COc1ccc(N[P@](=O)(Cl)Oc2ccccc2Cl)cc1	105633106	KCDQVKCQPQPGHO-FQEVSTJZSA-N	332.123	5.186	50	30	EKGC	
CCC[C@H](C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100497609	QKFYZDROUPIEQT-FQEVSTJZSA-N	333.435	5.169	50	30	EKGC	
CCCCCc1ccc(NC(=O)NNc2ccc(F)c(Cl)c2)cc1	3128757	RKLKVQWWZYLMOP-UHFFFAOYSA-N	349.837	5.360	50	30	EKGC	
Clc1ccc(Oc2ccc(CBr)cc2)cc1Cl	218247741	HGHLPZAVJCEOAO-UHFFFAOYSA-N	332.024	5.681	50	30	EKGC	
ClCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	3188457	DDGIDTFWNOEHRV-UHFFFAOYSA-N	347.643	5.041	50	30	EKGC	
CCCCCCCC/C=C/CCCCCCCCCC(=O)Cl	100166299	VYDCIEGMVDOFEW-MDZDMXLPSA-N	328.968	7.570	50	30	EKGC