smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCCCCCCCCCCCl	100024786	ASZMYJSJEOGSBR-UHFFFAOYSA-N	218.812	5.536	50	50	BKGA	
FP1(F)=NP(F)(F)=NP(F)(F)=N1	263621529	DKQPXAWBVGCNHG-UHFFFAOYSA-N	248.931	5.656	50	50	BKGA	in-vitro
CCCCCCCCCCCCCCCl	2242624	RNHWYOLIEJIAMV-UHFFFAOYSA-N	232.839	5.926	50	50	BKGA	
CCCC(C)(C)SSC(C)(C)CCC	1606263	LFRBEBAWOFBWRJ-UHFFFAOYSA-N	234.474	5.525	50	50	BKGA	
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCl	2557025	BJVUJIDTICYHLL-YFVJMOTDSA-N	240.818	5.644	50	50	BKGA	
ClP(C1CCCCC1)C1CCCCC1	95713716	AKJFBIZAEPTXIL-UHFFFAOYSA-N	232.735	5.288	50	50	BKGA	
CC(C)=CCC/C(C)=C\CC/C(C)=C/CCl	95908320	BJVUJIDTICYHLL-GNESMGCMSA-N	240.818	5.644	50	50	BKGA	
O=P(Cl)(C1CCCCC1)C1CCCCC1	100373926	HKYSIUYOULVHTO-UHFFFAOYSA-N	248.734	5.169	50	50	BKGA	
CCCCCCCCCCCCC/C=C/C=O	8217876	KLJFYXOVGVXZKT-CCEZHUSRSA-N	238.415	5.443	50	50	BKGA	in-man
CCCCCCCCCCCCCl	1687821	YAYNEUUHHLGGAH-UHFFFAOYSA-N	204.785	5.146	50	50	BKGA	
C1CCC(SSC2CCCCC2)CC1	2036063	ODHAQPXNQDBHSH-UHFFFAOYSA-N	230.442	5.033	50	50	BKGA	endogenous,in-man
CC(C)=CCC/C(C)=C/CC/C(C)=C\CCl	95908319	BJVUJIDTICYHLL-PVMFERMNSA-N	240.818	5.644	50	50	BKGA	
CCCCCCCCCC[C@H](C)Br	95736164	GIUUCQVKMWBSRT-LBPRGKRZSA-N	249.236	5.301	50	50	BKGA	
CCCCCCCCCCCCSC#N	1576857	RYZZMYXTNUJGMU-UHFFFAOYSA-N	227.417	5.122	50	50	BKGA	
C=CCCCO[Si](C(C)C)(C(C)C)C(C)C	195900824	YFELUSCMLUBLSG-UHFFFAOYSA-N	242.479	5.145	50	50	BKGA	
CC[Si](CC)(CC)O[Si](CC)(CC)CC	169746809	WILBTFWIBAOWLN-UHFFFAOYSA-N	246.543	5.013	50	50	BKGA	in-vitro
Cc1ccc(SSc2ccc(C)cc2)cc1	1091783	TZOVOULUMXXLOJ-UHFFFAOYSA-N	246.400	5.103	50	50	BKGA	
CCCCCCCCCC[C@@H](CC)C(=O)Cl	101366968	OALOLWZZSHLVTK-CYBMUJFWSA-N	246.822	5.309	50	50	BKGA	
CCCCCCSSCCCCCC	1646853	GJPDBURPGLWRPW-UHFFFAOYSA-N	234.474	5.528	50	50	BKGA	
CC(C)=CCC/C(C)=C\CC/C(C)=C\CCl	95908318	BJVUJIDTICYHLL-FBXUGWQNSA-N	240.818	5.644	50	50	BKGA	
CCCCCCCCCCCCCCN=C=O	100023274	CSMJMAQKBKGDQX-UHFFFAOYSA-N	239.403	5.023	50	50	BKGA	
CCCCCCCCCCCCOC(=O)Cl	2522845	AFPOMDNRTZLRMD-UHFFFAOYSA-N	248.794	5.283	50	50	BKGA	
CCCCCCCCCCCCBr	1866989	PBLNBZIONSLZBU-UHFFFAOYSA-N	249.236	5.302	50	50	BKGA	biogenic,in-vitro
CCCCCCCCCC[C@@H](C)Br	1632777	GIUUCQVKMWBSRT-GFCCVEGCSA-N	249.236	5.301	50	50	BKGA	
C=CCCCCCCCCCCBr	136160300	ZIGYFXNWSWECFA-UHFFFAOYSA-N	247.220	5.078	50	50	BKGA	
CCCCCCCCCCCCCC(=O)Cl	1699975	LPWCRLGKYWVLHQ-UHFFFAOYSA-N	246.822	5.453	50	50	BKGA	biogenic,in-vitro
CCCCCCCCCC[C@H](CC)C(=O)Cl	101366965	OALOLWZZSHLVTK-ZDUSSCGKSA-N	246.822	5.309	50	50	BKGA	
CCCCCCCCCCCCC(=O)Cl	2522569	FJRPWCNFWGBGOF-UHFFFAOYSA-N	232.795	5.063	50	50	BKGA	
CCCCCCCCCCCCN=C=S	95698150	LPVQVNLMFKGGCH-UHFFFAOYSA-N	227.417	5.010	50	50	BKGA	in-vitro