smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCC(CBr)CCC	2581416	ZVWCWXUOSBDXEQ-UHFFFAOYSA-N	193.128	3.598	50	50	AHGA	in-vitro
C[C@@H](N=C=S)c1ccc(Cl)cc1	2525807	BQJKNZREKDQMQA-SSDOTTSWSA-N	197.690	3.504	50	50	AHGA	
ClCc1ccc(Cl)cc1Cl	1599530	IRSVDHPYXFLLDS-UHFFFAOYSA-N	195.476	3.732	50	50	AHGA	in-vitro
CCCC[C@@H](CC)COC(=O)Cl	1849730	RTGLJCSUKOLTEM-MRVPVSSYSA-N	192.686	3.578	50	50	AHGA	
Fc1ccc(CCl)c2ccccc12	49952427	MBCICIRHFWCNAX-UHFFFAOYSA-N	194.636	3.718	50	50	AHGA	
ClCSc1ccc(Cl)cc1	2029506	XPJUCMIJGVAEGF-UHFFFAOYSA-N	193.098	3.628	50	50	AHGA	
CC(C)(C)SSC(C)(C)C	1646849	BKCNDTDWDGQHSD-UHFFFAOYSA-N	178.366	3.965	50	50	AHGA	in-vitro
ClCc1cc(Cl)ccc1Cl	1841057	OMZINLIPPVNUOG-UHFFFAOYSA-N	195.476	3.732	50	50	AHGA	
CC[C@@H](Cl)c1ccc(C)cc1	2143236	XJJDUZBGDJWMJU-SNVBAGLBSA-N	168.667	3.685	50	50	AHGA	
Cc1c(C)c(C)c(CCl)c(C)c1C	1638532	CXUAEBDTJFKMBV-UHFFFAOYSA-N	196.721	3.968	50	50	AHGA	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Cl	55343149	OMLOJNNKKPNVKN-KXUCPTDWSA-N	174.715	3.686	50	50	AHGA	in-vitro
[C-]#[N+]C1=CC[C@H](c2ccccc2)CC1	59186204	MELZBCMFFALINW-LBPRGKRZSA-N	183.254	3.757	50	50	AHGA	
ClCc1cc(Cl)cc(Cl)c1	165983	ZFLRKAMKGYNFPH-UHFFFAOYSA-N	195.476	3.732	50	50	AHGA	in-vitro
CCCCCC[C@H](C)Cl	2012866	HKDCIIMOALDWHF-QMMMGPOBSA-N	148.677	3.584	50	50	AHGA	
ClCCCc1ccc(Cl)cc1	2168861	FYUVHLUSUWWUPY-UHFFFAOYSA-N	189.085	3.511	50	50	AHGA	in-vitro
ClCCCC1CCCCC1	2004391	QEISABAAOUXQNG-UHFFFAOYSA-N	160.688	3.586	50	50	AHGA	
ClCCCCCc1ccccc1	2384754	UXJLBVYYDZDPBV-UHFFFAOYSA-N	182.694	3.638	50	50	AHGA	in-vitro
CCCCCCCCCCl	2036114	RKAMCQVGHFRILV-UHFFFAOYSA-N	162.704	3.976	50	50	AHGA	in-vitro
CC(C)(C)c1ccc(N=C=S)cc1	153333	OCGNNCBNRBTUCG-UHFFFAOYSA-N	191.299	3.718	50	50	AHGA	in-vitro
CCCCc1ccc(N=C=S)cc1	2168496	PXVPXJHMTUKENZ-UHFFFAOYSA-N	191.299	3.764	50	50	AHGA	in-vitro
[C-]#[N+]C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	100287913	IUMCNYSBDIUZHI-UNTZMWQOSA-N	189.302	3.655	50	50	AHGA	
C=C(O[Si](C)(C)C)c1ccccc1	169746875	AFFPCIMDERUIST-UHFFFAOYSA-N	192.334	3.509	50	50	AHGA	
CC(C)c1ccccc1N=C=S	164724	QQOOMDSEMQHMIR-UHFFFAOYSA-N	177.272	3.544	50	50	AHGA	
CCCCCCCCCl	1686928	CNDHHGUSRIZDSL-UHFFFAOYSA-N	148.677	3.586	50	50	AHGA	in-vitro
CC[C@H](C)SS[C@H](C)CC	14860240	QTWKINKGAHTPFJ-OCAPTIKFSA-N	178.366	3.965	50	50	AHGA	
CCCCSSCCCC	1669417	CUDSBWGCGSUXDB-UHFFFAOYSA-N	178.366	3.968	50	50	AHGA	endogenous,in-man
CCc1cccc(CC)c1N=C=S	2168487	QDPPZHPTDMQNBE-UHFFFAOYSA-N	191.299	3.546	50	50	AHGA	in-vitro
ClCc1ccc2ccccc2c1	1600964	MPCHQYWZAVTABQ-UHFFFAOYSA-N	176.646	3.579	50	50	AHGA	in-vitro
CC1=C(O[Si](C)(C)C)CC[C@@H]1C	169819040	BXSJRNCMUFPHHA-QMMMGPOBSA-N	184.355	3.542	50	50	AHGA	
FS(F)(F)(F)(F)c1ccoc1	100432831	MDJSCQSIEMJGMO-UHFFFAOYSA-N	194.124	3.937	50	50	AHGA	
CCCC[C@@H](CC)CBr	2242581	NZWIYPLSXWYKLH-MRVPVSSYSA-N	193.128	3.598	50	50	AHGA	
C=C/C=C\CO[Si](C)(C)C(C)(C)C	212375095	XNLMIPUXHUNERO-HJWRWDBZSA-N	198.382	3.750	50	50	AHGA	
CC(C)CSSCC(C)C	2389857	ONJROLGQWMBXAP-UHFFFAOYSA-N	178.366	3.680	50	50	AHGA	in-vitro
C=CCCCCCCBr	1841092	SNMOMUYLFLGQQS-UHFFFAOYSA-N	191.112	3.518	50	50	AHGA	in-vitro
C=CCCO[Si](C)(C)C(C)(C)C	195901613	SQEJDOVXJLMAJA-UHFFFAOYSA-N	186.371	3.584	50	50	AHGA	
CCCCCCCCCC(=O)Cl	1847858	IPIVAXLHTVNRBS-UHFFFAOYSA-N	190.714	3.893	50	50	AHGA	
C[C@H](N=C=S)c1ccc(Cl)cc1	2525808	BQJKNZREKDQMQA-ZETCQYMHSA-N	197.690	3.504	50	50	AHGA	
CC(C)(C)c1cccc(N=C=S)c1	15444510	JSDYQPUPSLXYCV-UHFFFAOYSA-N	191.299	3.718	50	50	AHGA	
CC(C)=CCC/C(C)=C/CCl	1724862	WLAUCMCTKPXDIY-JXMROGBWSA-N	172.699	3.918	50	50	AHGA	
ClCc1ccc(Cl)c(Cl)c1	2504272	YZIFVWOCPGPNHB-UHFFFAOYSA-N	195.476	3.732	50	50	AHGA	in-vitro
CC(C)(C)c1ccc(CCl)cc1	2140829	WAXIFMGAKWIFDQ-UHFFFAOYSA-N	182.694	3.723	50	50	AHGA	
CCCCCCC/C=C/C=C/C=O	2016114	QKTZBZWNADPFOL-BNFZFUHLSA-N	180.291	3.658	50	50	AHGA	endogenous,in-man
N#C/C=C/c1c(Cl)cccc1Cl	43559206	QQTSOROBSUQUJS-NSCUHMNNSA-N	198.052	3.530	50	50	AHGA	
CCCCCCCCC(=O)Cl	1700207	NTQYXUJLILNTFH-UHFFFAOYSA-N	176.687	3.502	50	50	AHGA	
CC(C)c1cccc(N=C=S)c1	20475653	DEJVUVMZSJGRSF-UHFFFAOYSA-N	177.272	3.544	50	50	AHGA	
CC(C)(C)[Si](C)(C)C(Cl)Cl	169876464	IIGQYABNVUNASW-UHFFFAOYSA-N	199.197	3.838	50	50	AHGA	
Cc1cccc(C(C)C)c1N=C=S	164926	RDFPHTAQERHCES-UHFFFAOYSA-N	191.299	3.853	50	50	AHGA	in-vitro
Cc1cc(N=C=S)c(C)cc1Cl	15444665	QLUZWOLTAJDGIU-UHFFFAOYSA-N	197.690	3.691	50	50	AHGA	
[C-]#[N+]C1=CC[C@@H](c2ccccc2)CC1	59186205	MELZBCMFFALINW-GFCCVEGCSA-N	183.254	3.757	50	50	AHGA	
CCCCCCCCCCCN=C=O	1603215	JXAYHHMVMJVFPQ-UHFFFAOYSA-N	197.322	3.853	50	50	AHGA	
Cc1cccc([C@@H](C)Cl)c1C	71260661	QCZFALDMBXRELM-SECBINFHSA-N	168.667	3.603	50	50	AHGA	in-vitro
ClCc1c(Cl)cccc1Cl	164427	LBOBESSDSGODDD-UHFFFAOYSA-N	195.476	3.732	50	50	AHGA	
CC[C@H](C)SS[C@@H](C)CC	5019969	QTWKINKGAHTPFJ-YUMQZZPRSA-N	178.366	3.965	50	50	AHGA	
ClCCc1cccc2ccccc12	2379583	COIBFCUQUWJKEN-UHFFFAOYSA-N	190.673	3.621	50	50	AHGA	in-vitro
Cc1cc(F)c(CCl)cc1Cl	306626399	HUWWBRGVFBWAHR-UHFFFAOYSA-N	193.048	3.526	50	50	AHGA	
ClCc1cccc(Cl)c1Cl	2243076	AIPJZPPOFWCJRC-UHFFFAOYSA-N	195.476	3.732	50	50	AHGA	
CCCCC/C=C(\C=O)CCCC	2019866	LYGMPIZYNJGJKP-BENRWUELSA-N	182.307	3.882	50	50	AHGA	endogenous,in-man
ClCc1cccc2ccccc12	1586767	XMWGTKZEDLCVIG-UHFFFAOYSA-N	176.646	3.579	50	50	AHGA	
CCCCCCCCC/C=C/C=O	1589935	SSNZFFBDIMUILS-ZHACJKMWSA-N	182.307	3.882	50	50	AHGA	endogenous,in-man
CCCSSc1ccoc1C	2000972	YFPPCUTVJGGSQC-UHFFFAOYSA-N	188.317	3.738	50	50	AHGA	endogenous,in-man
CC1=C(O[Si](C)(C)C)CC[C@H]1C	169819039	BXSJRNCMUFPHHA-MRVPVSSYSA-N	184.355	3.542	50	50	AHGA	
C=C/C=C/CO[Si](C)(C)C(C)(C)C	169837778	XNLMIPUXHUNERO-CMDGGOBGSA-N	198.382	3.750	50	50	AHGA	
CCCCCCC[C@H](C)N=C=S	2525815	MQPOQQFZEYBCRM-JTQLQIEISA-N	185.336	3.838	50	50	AHGA	
CCCCCC[C@@H](C)Cl	1686929	HKDCIIMOALDWHF-MRVPVSSYSA-N	148.677	3.584	50	50	AHGA	
S=C=Nc1cccc2ccccc12	164198	JBDOSUUXMYMWQH-UHFFFAOYSA-N	185.251	3.574	50	50	AHGA	in-vitro
CC(C)(C)c1ccccc1N=C=S	70569850	ZCUHDPHNPZQPND-UHFFFAOYSA-N	191.299	3.718	50	50	AHGA	
CC[C@H](Cl)c1ccc(C)cc1	2143235	XJJDUZBGDJWMJU-JTQLQIEISA-N	168.667	3.685	50	50	AHGA	
Cc1ccc(CCl)c2ccccc12	1689807	QHXSBKTZBDHBKF-UHFFFAOYSA-N	190.673	3.887	50	50	AHGA	in-vitro
Cc1cccc([C@H](C)Cl)c1C	71260662	QCZFALDMBXRELM-VIFPVBQESA-N	168.667	3.603	50	50	AHGA	in-vitro
CCCC[C@H](CC)CBr	54962120	NZWIYPLSXWYKLH-QMMMGPOBSA-N	193.128	3.598	50	50	AHGA	
CC(C)c1ccc(N=C=S)cc1	164728	SNWJJTIJIDXIHL-UHFFFAOYSA-N	177.272	3.544	50	50	AHGA	in-vitro
CCCCCCCCOCCl	2539394	YUMNZEWYPUBSQA-UHFFFAOYSA-N	178.703	3.560	50	50	AHGA	
CC(C)(C)P(Cl)Cl	95719257	NMJASRUOIRRDSX-UHFFFAOYSA-N	158.996	3.574	50	50	AHGA	
CCCCCCCCBr	1700203	VMKOFRJSULQZRM-UHFFFAOYSA-N	193.128	3.742	50	50	AHGA	
CCCC[C@H](CC)COC(=O)Cl	1849732	RTGLJCSUKOLTEM-QMMMGPOBSA-N	192.686	3.578	50	50	AHGA	
C=CCCCCCCCCl	1845617	AJGQFZNQNJVFQX-UHFFFAOYSA-N	160.688	3.752	50	50	AHGA	in-vitro
CC[C@@H](C)SS[C@H](C)CC	2534772	QTWKINKGAHTPFJ-HTQZYQBOSA-N	178.366	3.965	50	50	AHGA	
CCCCCCCCOC(=O)Cl	2242594	VFXVAXFIFHSGNR-UHFFFAOYSA-N	192.686	3.722	50	50	AHGA	
[C-]#[N+]C(c1ccccc1)c1ccccc1	95713394	REKQCRSUOJRCDV-UHFFFAOYSA-N	193.249	3.695	50	50	AHGA	in-vitro
ClCCCCCCCCCl	1841392	WXYMNDFVLNUAIA-UHFFFAOYSA-N	183.122	3.805	50	50	AHGA	
CC(C)=CCCCCBr	71774313	IVWSRGNSKXGNQU-UHFFFAOYSA-N	191.112	3.518	50	50	AHGA	
CC1=C(O[Si](C)(C)C)[C@H]2CC[C@H]1C2	169838041	LTJWFJXPFUASHN-UWVGGRQHSA-N	196.366	3.542	50	50	AHGA	
Cc1ccc2ccccc2c1CCl	1689806	STBYRSZXHDPASK-UHFFFAOYSA-N	190.673	3.887	50	50	AHGA	in-vitro
CC(C)c1ccc(CCl)cc1	1665968	CYAKWEQUWJAHLW-UHFFFAOYSA-N	168.667	3.549	50	50	AHGA	
CCCCCCCCC/C=C\C=O	85626187	SSNZFFBDIMUILS-KHPPLWFESA-N	182.307	3.882	50	50	AHGA	
CCCCCCC[C@@H](C)N=C=S	2525814	MQPOQQFZEYBCRM-SNVBAGLBSA-N	185.336	3.838	50	50	AHGA	in-vitro