smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC/C=C/CC[Si](C)(C)CCl	195760967	ISCUJTAKBWCPPI-AATRIKPKSA-N	190.790	3.829	50	40	AHGB	
CC[C@@H](C)c1ccc(N=C=S)cc1	65335494	XUKOSQOFXXDPHH-SECBINFHSA-N	191.299	3.934	50	40	AHGB	
CC(C)(C)CCCCCC(=O)Cl	2510302	WOFMVUZGDHWHLJ-UHFFFAOYSA-N	190.714	3.748	50	40	AHGB	
Cc1cc(C)c(CCl)c(C)c1C	68568650	OQUKKHYCEMWNFQ-UHFFFAOYSA-N	182.694	3.659	50	40	AHGB	
N#C/C=C/c1ccc(Cl)cc1Cl	4389771	BJDODEOWCFKBBK-OWOJBTEDSA-N	198.052	3.530	50	40	AHGB	
CCCCC[C@H](Cl)CC	2012868	FYNJWLOOBINARS-MRVPVSSYSA-N	148.677	3.584	50	40	AHGB	
C=C(Cl)CCCCCCl	2567403	PAOPGDQMPIZTLT-UHFFFAOYSA-N	167.079	3.538	50	40	AHGB	
ClCCC1CCCCCC1	55048365	MPSIMZVBCYTZHR-UHFFFAOYSA-N	160.688	3.586	50	40	AHGB	
CCCCCCC/C=C/C=C\C=O	100293556	QKTZBZWNADPFOL-OCBXPSTGSA-N	180.291	3.658	50	40	AHGB	
CC/C(C)=C\CC/C(C)=C/C#N	31362520	DHJVLXVXNFUSMU-YANFREPOSA-N	163.264	3.593	50	40	AHGB	
CC(C)(C)Oc1ccc(CCl)cc1	20517572	SOOPMPABJXPFML-UHFFFAOYSA-N	198.693	3.603	50	40	AHGB	
C[C@@H](Cl)c1ccccc1Cl	3411303	GTNKGWCGZVQBGT-ZCFIWIBFSA-N	175.058	3.640	50	40	AHGB	in-vitro
C[C@@H](Cl)CCCc1ccccc1	58003043	PJONLBBWQJBMHK-SNVBAGLBSA-N	182.694	3.637	50	40	AHGB	
Cc1ccc(C(C)C)cc1CCCl	1670366	VDOZJKRMLDSRNJ-UHFFFAOYSA-N	196.721	3.900	50	40	AHGB	
CC(C)CCC[C@@H](C)C/C=C/C=O	1633962	ROXNDLMMXXKEMM-ITKZLYELSA-N	182.307	3.594	50	40	AHGB	
Cc1cc(C)c([C@H](C)Cl)c(C)c1	57214444	TXQDZFRXFDSOIO-JTQLQIEISA-N	182.694	3.912	50	40	AHGB	in-vitro
CCCCCC[C@@H](Cl)CCl	1729043	LYVLPCUIYWOEBI-MRVPVSSYSA-N	183.122	3.803	50	40	AHGB	
CC/C(C)=C\CC/C(C)=C\C#N	31362517	DHJVLXVXNFUSMU-XNFNPUBGSA-N	163.264	3.593	50	40	AHGB	
CC(C)c1cccc(OO)c1C(C)C	59205479	CCNDGKOREYKPJK-UHFFFAOYSA-N	194.274	3.785	50	40	AHGB	
CCCC[C@@H](Cl)CCC	2012873	SRGMFDQMGOZQPO-QMMMGPOBSA-N	148.677	3.584	50	40	AHGB	
CCCCCC[C@H](Cl)CCl	2389900	LYVLPCUIYWOEBI-QMMMGPOBSA-N	183.122	3.803	50	40	AHGB	
C[C@H](Cl)c1ccc(Cl)cc1	49701402	NOCHRVHWICTPLG-LURJTMIESA-N	175.058	3.640	50	40	AHGB	in-vitro
CCCCCCCSCCCl	1734871	VKGLGJGDQKNUQZ-UHFFFAOYSA-N	194.771	3.929	50	40	AHGB	
[C-]#[N+]C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2	100287917	IUMCNYSBDIUZHI-QZQSVVMZSA-N	189.302	3.655	50	40	AHGB	
[C-]#[N+]C12CC3C[C@](C)(C1)C[C@](C)(C3)C2	100287916	IUMCNYSBDIUZHI-ZFQMDJOTSA-N	189.302	3.655	50	40	AHGB	
Cc1cc2ccccc2cc1CCl	3165700	CQHSFFQAXLUPEW-UHFFFAOYSA-N	190.673	3.887	50	40	AHGB	
Cc1cc2cccc(CCl)c2s1	98177511	NJRZSMSGGWEYMI-UHFFFAOYSA-N	196.702	3.949	50	40	AHGB	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1Cl	1685864	OMLOJNNKKPNVKN-AEJSXWLSSA-N	174.715	3.686	50	40	AHGB	
CCCCCP(Cl)Cl	115111679	RDLGWAUYRZLYCV-UHFFFAOYSA-N	173.023	3.966	50	40	AHGB	
C/C=C\S(F)(F)(F)(F)F	210445202	RWBQOHFPIKCFHS-IHWYPQMZSA-N	168.130	3.819	50	40	AHGB	
CCCCC/C=C/CC/C=C\C=O	116452615	VPEGROOEBNSCCL-WFKFFMJQSA-N	180.291	3.658	50	40	AHGB	
Cc1ccc([C@@H](C)Cl)cc1C	49701362	MDKHOLUSBWKBSR-SECBINFHSA-N	168.667	3.603	50	40	AHGB	
CCC/C(C)=C\CC/C(C)=C\C=O	207718629	NARMLVMYGPSDLN-CFXHALTNSA-N	180.291	3.658	50	40	AHGB	
S=C=Nc1ccc2ccccc2c1	1609580	RTMXPNYHPHIDHX-UHFFFAOYSA-N	185.251	3.574	50	40	AHGB	in-vitro
Cc1sc2ccccc2c1CCl	2513860	DYXSRRSEVMRNPQ-UHFFFAOYSA-N	196.702	3.949	50	40	AHGB	
CC(C)(C)c1ccccc1CCl	57936400	FCNALCYSVKFCNX-UHFFFAOYSA-N	182.694	3.723	50	40	AHGB	
CC(C)=CCC/C(C)=C\CCl	90477125	WLAUCMCTKPXDIY-YFHOEESVSA-N	172.699	3.918	50	40	AHGB	
CCCCC/C=C\CC/C=C\C=O	116452613	VPEGROOEBNSCCL-QOXWLJPHSA-N	180.291	3.658	50	40	AHGB	
CC[C@H](C)c1ccc(N=C=S)cc1	65335495	XUKOSQOFXXDPHH-VIFPVBQESA-N	191.299	3.934	50	40	AHGB	
CC(C)CCCCCBr	2564182	BFYPQDKZLOZOLQ-UHFFFAOYSA-N	193.128	3.598	50	40	AHGB	
ClC1CCC(c2ccccc2)CC1	1596142	XWXBWCBHZSFRGQ-UHFFFAOYSA-N	194.705	3.952	50	40	AHGB	
CCCCC[C@@H](Cl)CC	2012870	FYNJWLOOBINARS-QMMMGPOBSA-N	148.677	3.584	50	40	AHGB	
CC(C)=C(C#N)c1ccc(Cl)cc1	41205795	DTJBBSGUUNJFHI-UHFFFAOYSA-N	191.661	3.657	50	40	AHGB	
CCC#CCCCCCCCl	2379587	BQQIODGRFRSXTM-UHFFFAOYSA-N	172.699	3.589	50	40	AHGB	
ClCCc1cc2ccccc2s1	88187512	AKGPNMKNZKXGBY-UHFFFAOYSA-N	196.702	3.683	50	40	AHGB	
CC[C@H](Br)c1ccccc1	54962123	XJSUFXFSUACKAT-VIFPVBQESA-N	199.091	3.533	50	40	AHGB	in-vitro
CCC/C(C)=C/CC/C(C)=C/C=O	167871117	NARMLVMYGPSDLN-HNWKWBPYSA-N	180.291	3.658	50	40	AHGB	
CCCS(F)(F)(F)(F)F	118691226	GQRLVWKTAHLCJT-UHFFFAOYSA-N	170.146	3.695	50	40	AHGB	
CCCCC[C@H](Cl)[C@@H](C)Cl	100075805	MVGLPONKMNPSHG-SFYZADRCSA-N	183.122	3.801	50	40	AHGB	
CCC/C(C)=C/CC/C(C)=C\C=O	207718672	NARMLVMYGPSDLN-WSWPAOCJSA-N	180.291	3.658	50	40	AHGB	
C[C@H](Cl)c1ccccc1Cl	3411301	GTNKGWCGZVQBGT-LURJTMIESA-N	175.058	3.640	50	40	AHGB	in-vitro
ClCc1csc2ccccc12	2515975	JIXGRXJTSCZWNB-UHFFFAOYSA-N	182.675	3.640	50	40	AHGB	
C[Si](C)(C)OC1=CCCCCC1	195941657	HEOUXWQHEFRJLK-UHFFFAOYSA-N	184.355	3.686	50	40	AHGB	
CCCCCC#CCCCCl	1737748	WQROTKWHQIGFTO-UHFFFAOYSA-N	172.699	3.589	50	40	AHGB	
Cc1cc(C)c(N=C=S)c(Cl)c1	4218782	BZMBGNFFOMXBCL-UHFFFAOYSA-N	197.690	3.691	50	40	AHGB	in-vitro
CCCCCCSCCCl	2579144	PLRWRRRBQRCLAB-UHFFFAOYSA-N	180.744	3.539	50	40	AHGB	
C[C@@H](Cl)c1ccc(Cl)cc1	49701404	NOCHRVHWICTPLG-ZCFIWIBFSA-N	175.058	3.640	50	40	AHGB	in-vitro
CC(C)c1ccc(CCCl)cc1	55241583	FOKPOJYEMMWKCS-UHFFFAOYSA-N	182.694	3.591	50	40	AHGB	
CCCCC[C@@H](Cl)[C@@H](C)Cl	100075808	MVGLPONKMNPSHG-HTQZYQBOSA-N	183.122	3.801	50	40	AHGB	
CCC/C(C)=C\CC/C(C)=C/C=O	207718714	NARMLVMYGPSDLN-VNPQWULESA-N	180.291	3.658	50	40	AHGB	
FC(F)(F)S(F)(F)(F)(F)F	95676862	QIYZKVMAFMDRTP-UHFFFAOYSA-N	196.062	3.805	50	40	AHGB	
ClCc1cc2ccccc2s1	22863621	JHDSVVPTMIYVGV-UHFFFAOYSA-N	182.675	3.640	50	40	AHGB	
CC(C)Cc1ccc(CCl)cc1	49779811	RVQOLTBRWHPYTM-UHFFFAOYSA-N	182.694	3.624	50	40	AHGB	in-vitro
CCCCCC[C@@H](C)OCCCl	16637863	WAKOFUDHBWGHKW-SNVBAGLBSA-N	192.730	3.601	50	40	AHGB	
C[Si](C)(C)OC=C1CCCCC1	194917090	KFKDHECCYWJGSC-UHFFFAOYSA-N	184.355	3.686	50	40	AHGB	
CCCCCC[C@H](C)OCCCl	16637866	WAKOFUDHBWGHKW-JTQLQIEISA-N	192.730	3.601	50	40	AHGB	
CC1=C(O[Si](C)(C)C)CCCC1	169819620	FCNOWHQIHFADKQ-UHFFFAOYSA-N	184.355	3.686	50	40	AHGB	
CC(C)/C=C\CCCCC(=O)Cl	85483735	JDZRIGWDAPNYLT-ALCCZGGFSA-N	188.698	3.524	50	40	AHGB	
CCCCC/C=C\CC/C=C/C=O	25695874	VPEGROOEBNSCCL-JFEAUALZSA-N	180.291	3.658	50	40	AHGB	endogenous,in-man
Cc1cc(C)c([C@@H](C)Cl)c(C)c1	57214442	TXQDZFRXFDSOIO-SNVBAGLBSA-N	182.694	3.912	50	40	AHGB	in-vitro
FS(F)(F)(F)(F)CCCl	95876052	OUNCBGSVCDFKHS-UHFFFAOYSA-N	190.564	3.524	50	40	AHGB	
Cc1ccc([C@H](C)Cl)cc1C	49701365	MDKHOLUSBWKBSR-VIFPVBQESA-N	168.667	3.603	50	40	AHGB	
CCCC[C@@H](Br)CCC	57211599	FDODEDHSASFCSW-QMMMGPOBSA-N	193.128	3.740	50	40	AHGB	
C=Cc1ccc(O[Si](C)(C)C)cc1	195956626	SOSNAIPTFXTNRU-UHFFFAOYSA-N	192.334	3.543	50	40	AHGB	
CCCCCCCCCN=C=S	2390126	GSAYWRFRZHSPQB-UHFFFAOYSA-N	185.336	3.840	50	40	AHGB	in-vitro
CC(C)(C)c1cccc(CCl)c1	88189965	QZWCABOLGIVZCP-UHFFFAOYSA-N	182.694	3.723	50	40	AHGB	
Cc1cc(C)c(C)c(CCCl)c1C	71425254	LDSZVLDRUGEROB-UHFFFAOYSA-N	196.721	3.702	50	40	AHGB	
Clc1cccc(C(Cl)Cl)c1	2572180	ACNQJGLSENYFQJ-UHFFFAOYSA-N	195.476	3.816	50	40	AHGB	
C[C@@H](Cl)c1cccc(Cl)c1	57332882	UEDWCYBNUKGVRI-ZCFIWIBFSA-N	175.058	3.640	50	40	AHGB	in-vitro
C[C@H](Cl)CCCc1ccccc1	58003041	PJONLBBWQJBMHK-JTQLQIEISA-N	182.694	3.637	50	40	AHGB	
CCCCCCCCSC#N	1662385	FGVYCHQRRXDRAR-UHFFFAOYSA-N	171.309	3.561	50	40	AHGB	
ClCCCSC1CCCCC1	2165653	JFCRKANHDOIFOL-UHFFFAOYSA-N	192.755	3.681	50	40	AHGB	
ClCCCc1cccc(Cl)c1	49651069	QHWMHHQKQHWJRT-UHFFFAOYSA-N	189.085	3.511	50	40	AHGB	
CCCCC#CCCCCCl	2565721	HOROZASJKPUNET-UHFFFAOYSA-N	172.699	3.589	50	40	AHGB	
CCCC[C@H](Br)CCC	2566207	FDODEDHSASFCSW-MRVPVSSYSA-N	193.128	3.740	50	40	AHGB	
CCCCC[C@@H](Br)CC	55345741	OELHQHILWOIUSL-QMMMGPOBSA-N	193.128	3.740	50	40	AHGB	
CC(C)CCC[C@@H](C)C/C=C\C=O	4538223	ROXNDLMMXXKEMM-RXNFCKPNSA-N	182.307	3.594	50	40	AHGB	
Cc1cc(CCl)c(C)c(C)c1C	68568652	IWOZCBWTEAPSSJ-UHFFFAOYSA-N	182.694	3.659	50	40	AHGB	
CCCCC[C@@H](Cl)[C@H](C)Cl	100075813	MVGLPONKMNPSHG-JGVFFNPUSA-N	183.122	3.801	50	40	AHGB	
C[C@H](Cl)c1cccc(Cl)c1	57332879	UEDWCYBNUKGVRI-LURJTMIESA-N	175.058	3.640	50	40	AHGB	in-vitro
CC(C)c1ccccc1CCl	57935631	ABJGYUSFOIMJPT-UHFFFAOYSA-N	168.667	3.549	50	40	AHGB	
CC/C=C\CC[Si](C)(C)CCl	195760966	ISCUJTAKBWCPPI-WAYWQWQTSA-N	190.790	3.829	50	40	AHGB	
N#CC(=C1CCCCC1)c1ccccc1	1429289	ZHOOOLQOWQVYOE-UHFFFAOYSA-N	197.281	3.928	50	40	AHGB	
CC(C)=CCC[C@@H](C)CCCl	95862991	UIWKMHMNAFDHQF-SNVBAGLBSA-N	174.715	3.998	50	40	AHGB	
CC(C)(C)c1ccc(/C=C/C#N)cc1	41203110	RHJOZPXSHJYHJF-SNAWJCMRSA-N	185.270	3.521	50	40	AHGB	
CCCCCC[C@@H](C)Br	1586380	FTJHYGJLHCGQHQ-MRVPVSSYSA-N	193.128	3.740	50	40	AHGB	in-vitro
CC(C)[C@@H](Cl)c1ccccc1	2032336	DVMSSEGSXWICNT-SNVBAGLBSA-N	168.667	3.623	50	40	AHGB	in-vitro
CC(C)CCC[C@H](C)C/C=C/C=O	1633964	ROXNDLMMXXKEMM-ZYOFXKKJSA-N	182.307	3.594	50	40	AHGB	
CC(C)[C@H](Cl)c1ccccc1	1765817	DVMSSEGSXWICNT-JTQLQIEISA-N	168.667	3.623	50	40	AHGB	in-vitro
CCCCN(CCCC)SCl	72399685	BKFZQRHTZYGWPW-UHFFFAOYSA-N	195.759	3.691	50	40	AHGB	in-vitro
[C-]#[N+]CCCCCCCCCC[N+]#[C-]	60007870	QTBZTCJFUBPERI-UHFFFAOYSA-N	192.306	3.946	50	40	AHGB	
CC/C(C)=C/CC/C(C)=C/C#N	3881867	DHJVLXVXNFUSMU-NSJFVGFPSA-N	163.264	3.593	50	40	AHGB	
Cc1cccc(C(C)C)c1CCl	57936397	CPESACFCWXFPPR-UHFFFAOYSA-N	182.694	3.857	50	40	AHGB	
CC(C)/C=C/CCCCC(=O)Cl	5358352	JDZRIGWDAPNYLT-FNORWQNLSA-N	188.698	3.524	50	40	AHGB	
CC[C@@H](Br)c1ccccc1	54962124	XJSUFXFSUACKAT-SECBINFHSA-N	199.091	3.533	50	40	AHGB	in-vitro
Clc1ccc(C(Cl)Cl)cc1	2584544	VWHNJDGWDOQJRM-UHFFFAOYSA-N	195.476	3.816	50	40	AHGB	in-vitro
CCCCCC[C@H](C)Br	49588448	FTJHYGJLHCGQHQ-QMMMGPOBSA-N	193.128	3.740	50	40	AHGB	in-vitro
C[C@@H]1CC(CCCl)C[C@@H](C)C1	74941296	OLLYUSFVDOKLGL-IUCAKERBSA-N	174.715	3.688	50	40	AHGB	in-vitro
CCCSSSCCC	2168409	GAZXPZNJTZIGBO-UHFFFAOYSA-N	182.379	3.836	50	40	AHGB	in-man
ClCCCc1ccccc1Cl	49651067	XNCHRPAULDQGPI-UHFFFAOYSA-N	189.085	3.511	50	40	AHGB	in-vitro
ClC/C=C/c1ccc(Cl)cc1	83141840	CLZRDHUBODXICN-OWOJBTEDSA-N	187.069	3.592	50	40	AHGB	
C[C@H]1C[C@@H](C)C[C@H](CCCl)C1	238854591	OLLYUSFVDOKLGL-MYJAWHEDSA-N	174.715	3.688	50	40	AHGB	in-vitro
CCCC[C@H](Cl)CCC	2012872	SRGMFDQMGOZQPO-MRVPVSSYSA-N	148.677	3.584	50	40	AHGB	
C=C(Cl)CCCCCCCl	2567404	USNACSJJNIPRRX-UHFFFAOYSA-N	181.106	3.928	50	40	AHGB	
CO[Si](C(C)C)(C(C)C)C(C)C	195772276	YKFVVAUPACHDIG-UHFFFAOYSA-N	188.387	3.808	50	40	AHGB	
CCCCC/C=C/CC/C=C/C=O	35052547	VPEGROOEBNSCCL-MVQNEBOGSA-N	180.291	3.658	50	40	AHGB	
ClP(Cl)C1=CCC=C1	59302565	LVXGWZMFYIUDFU-UHFFFAOYSA-N	166.975	3.620	50	40	AHGB	
CCCCCCCCOCCCl	100075487	HWXKVFMALKBLOS-UHFFFAOYSA-N	192.730	3.602	50	40	AHGB	
C=C(C)CCCCCCCl	2567410	WPPNRBVXACSCEG-UHFFFAOYSA-N	160.688	3.752	50	40	AHGB	
CCCCC[C@H](Cl)[C@H](C)Cl	100075811	MVGLPONKMNPSHG-YUMQZZPRSA-N	183.122	3.801	50	40	AHGB	
CC(C)CCC[C@H](C)C/C=C\C=O	4538226	ROXNDLMMXXKEMM-QMAVJUDZSA-N	182.307	3.594	50	40	AHGB	
CC(C)=CCC[C@H](C)CCCl	77912019	UIWKMHMNAFDHQF-JTQLQIEISA-N	174.715	3.998	50	40	AHGB	
ClP(Cl)Oc1ccccc1	95704135	LXHWDUISRBUGRA-UHFFFAOYSA-N	194.985	3.770	50	40	AHGB	
C=CC[Si](CC=C)(CC=C)OCC	195760120	PITANJVKTXCWKI-UHFFFAOYSA-N	196.366	3.526	50	40	AHGB	
CCCCC[C@H](Br)CC	2579100	OELHQHILWOIUSL-MRVPVSSYSA-N	193.128	3.740	50	40	AHGB	
C[C@H]1CC(CCCl)C[C@H](C)C1	74941297	OLLYUSFVDOKLGL-RKDXNWHRSA-N	174.715	3.688	50	40	AHGB	in-vitro
C/C=C/S(F)(F)(F)(F)F	142822837	RWBQOHFPIKCFHS-NSCUHMNNSA-N	168.130	3.819	50	40	AHGB	
CC/C(C)=C/CC/C(C)=C\C#N	31362519	DHJVLXVXNFUSMU-HOLFWZHHSA-N	163.264	3.593	50	40	AHGB	
Cc1cc(C)c(C)c(CCl)c1C	1760399	UGAPPXGBBWAIGT-UHFFFAOYSA-N	182.694	3.659	50	40	AHGB	
CCC[Si](CCC)(CCC)OC	195766990	FUMSHFZKHQOOIX-UHFFFAOYSA-N	188.387	3.808	50	40	AHGB