smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
FS(F)(F)(F)(F)c1cccc(S)c1	169806209	SONZVPHCQZZSKS-UHFFFAOYSA-N	236.230	4.633	50	50	BJGA	
CC1(C)CCC(C=O)=C(c2ccc(Cl)cc2)C1	116883805	OOUSVDAPSBFSBR-UHFFFAOYSA-N	248.753	4.503	50	50	BJGA	
C[C@@H](c1ccccc1)[C@@H](Cl)c1ccccc1	3132777	ZGMJJKKKBGMBGK-SWLSCSKDSA-N	230.738	4.770	50	50	BJGA	
C#CCCCCCCCCCCC/C=C/C=O	601032751	SZJVPCWLLYHNGE-CCEZHUSRSA-N	234.383	4.666	50	50	BJGA	in-vitro
Cl[C@@H](CCc1ccccc1)c1ccccc1	3136333	SDPJLKIXNSXSPK-HNNXBMFYSA-N	230.738	4.599	50	50	BJGA	
CCCCCCCc1ccc(C(=O)Cl)cc1	2140824	WHTFLTOKFXTJGV-UHFFFAOYSA-N	238.758	4.579	50	50	BJGA	biogenic,in-vitro
CCCCCCCCC[C@@H](C)Br	1736646	HAMCEMQAQYUVRF-LLVKDONJSA-N	235.209	4.911	50	50	BJGA	
CCCCCCCCCCOC(=O)Cl	2581947	AZZCHVHSWUYCQA-UHFFFAOYSA-N	220.740	4.503	50	50	BJGA	in-vitro
ClP(C1CCCC1)C1CCCC1	100004529	QTYRJBRBODDGCQ-UHFFFAOYSA-N	204.681	4.507	50	50	BJGA	
Cc1c(CCl)cc(C(C)C)cc1C(C)C	3124381	CVOGWKJLGMNAIT-UHFFFAOYSA-N	224.775	4.981	50	50	BJGA	
C[C@H](c1ccccc1)[C@@H](Cl)c1ccccc1	3132778	ZGMJJKKKBGMBGK-IUODEOHRSA-N	230.738	4.770	50	50	BJGA	
C[C@@H](c1ccccc1)[C@H](Cl)c1ccccc1	3132775	ZGMJJKKKBGMBGK-WFASDCNBSA-N	230.738	4.770	50	50	BJGA	
c1csc(SSc2cccs2)c1	313139	YOLFWWMPGNMXFI-UHFFFAOYSA-N	230.404	4.609	50	50	BJGA	endogenous,in-man
C[C@H](c1ccccc1)[C@H](Cl)c1ccccc1	3132776	ZGMJJKKKBGMBGK-DOMZBBRYSA-N	230.738	4.770	50	50	BJGA	
CCCCCSSCCCCC	2041049	YSQZSPCQDXHJDJ-UHFFFAOYSA-N	206.420	4.748	50	50	BJGA	biogenic,in-vitro
FS(F)(F)(F)(F)c1ccc2[nH]ccc2c1	101651194	REBNKTWHBDWXHD-UHFFFAOYSA-N	243.200	4.825	50	50	BJGA	
C=CCCCCCCCCCBr	1724750	YPLVPFUSXYSHJD-UHFFFAOYSA-N	233.193	4.688	50	50	BJGA	biogenic,in-vitro
Cl[C@H](CCc1ccccc1)c1ccccc1	3136334	SDPJLKIXNSXSPK-OAHLLOKOSA-N	230.738	4.599	50	50	BJGA	
ClP(Cl)CP(Cl)Cl	95671015	OEKLCAXLANZKPX-UHFFFAOYSA-N	217.787	4.523	50	50	BJGA	
CCCCCCCCCCBr	1648226	MYMSJFSOOQERIO-UHFFFAOYSA-N	221.182	4.522	50	50	BJGA	
S=C=NC1CCCCCCCCCCC1	4254034	VSCLPFIUOOBLQJ-UHFFFAOYSA-N	225.401	4.763	50	50	BJGA	in-vitro
ClC(Cl)c1ccc(C(Cl)Cl)cc1	2162116	VOWDXSFJQOEFSH-UHFFFAOYSA-N	243.948	4.639	50	50	BJGA	biogenic,in-vitro
ClCc1ccc(Sc2ccccc2)cc1	1675829	RLFHPRWHJYDGSD-UHFFFAOYSA-N	234.751	4.577	50	50	BJGA	in-vitro
FS(F)(F)(F)(F)c1ccc(S)cc1	168783989	QVHXLVBCMCJPHV-UHFFFAOYSA-N	236.230	4.633	50	50	BJGA	
CC(C)(C)P(Cl)C1CCCCC1	101683693	MMGOTUAZCTWZKP-UHFFFAOYSA-N	206.697	4.753	50	50	BJGA	
CC(C)(C)[Si](C)(C)Oc1ccccc1Cl	195920205	LOUTXSPUHCFDCO-UHFFFAOYSA-N	242.822	4.724	50	50	BJGA	
CCCCCCCCCCCC(=O)Cl	2041056	NQGIJDNPUZEBRU-UHFFFAOYSA-N	218.768	4.673	50	50	BJGA	in-vitro
CC(C)(C)[Si](C)(C)Oc1ccc(Cl)cc1	195791006	GIJYKQZUGLZCKZ-UHFFFAOYSA-N	242.822	4.724	50	50	BJGA	
Cc1ccc(S(F)(F)(F)(F)F)cc1	100042532	MFSRNICSILXXMS-UHFFFAOYSA-N	218.190	4.652	50	50	BJGA	in-vitro
ClCCCCCCCCCCCl	1700010	RBBNTRDPSVZESY-UHFFFAOYSA-N	211.176	4.585	50	50	BJGA	in-vitro
c1ccc(CSSCc2ccccc2)cc1	1867028	GVPWHKZIJBODOX-UHFFFAOYSA-N	246.400	4.768	50	50	BJGA	endogenous,in-man
CC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1	195917074	DZPKJDCRDGUMDN-UHFFFAOYSA-N	242.822	4.724	50	50	BJGA	
Clc1ccc([C@H](Cl)c2ccccc2)cc1	155312	ALKWTKGPKKAZMN-CYBMUJFWSA-N	237.129	4.668	50	50	BJGA	
CCCCCCCCCC[Si](C)(C)OC	195755158	IKIVNCRFEYCANR-UHFFFAOYSA-N	230.468	4.979	50	50	BJGA	
CC(C)(C)[Si](C)(C)Oc1ccc2cc[nH]c2c1	169979316	DXVRGWFZTYZCFD-UHFFFAOYSA-N	247.414	4.552	50	50	BJGA	
ClP(Cl)CCP(Cl)Cl	95719224	SBWAJHLQMFBNIN-UHFFFAOYSA-N	231.814	4.565	50	50	BJGA	
CC(C)=CCC/C(C)=C/CC/C(C)=C/C=O	1529658	YHRUHBBTQZKMEX-YFVJMOTDSA-N	220.356	4.605	50	50	BJGA	in-man
ClCc1ccc(/C=C/c2ccccc2)cc1	2539280	IWJQBYQAGGHNAB-VOTSOKGWSA-N	228.722	4.596	50	50	BJGA	
ClCc1c2ccccc2cc2ccccc12	1763651	PCVRSXXPGXRVEZ-UHFFFAOYSA-N	226.706	4.732	50	50	BJGA	
CC(C)c1cc(Cl)cc(C(C)C)c1N=C=O	34568146	LYAWGVFUGRUFEO-UHFFFAOYSA-N	237.730	4.554	50	50	BJGA	
CC(C)c1cccc(C(C)C)c1N=C=S	2390165	HZGOUCYIYIFQHX-UHFFFAOYSA-N	219.353	4.668	50	50	BJGA	in-vitro
CC(C)(C)CC(C)(C)C/C=C/CCl	3199729	DVOYYVNTAWFQAV-VOTSOKGWSA-N	202.769	4.634	50	50	BJGA	in-vitro
CCCCCCCCC[C@H](C)Br	100300519	HAMCEMQAQYUVRF-NSHDSACASA-N	235.209	4.911	50	50	BJGA	
ClCCC=C(c1ccccc1)c1ccccc1	71773631	XGOZGDXXUIRGTQ-UHFFFAOYSA-N	242.749	4.747	50	50	BJGA	
CC(=O)c1cccc(S(F)(F)(F)(F)F)c1	97949967	GUYKQTMZBIAURU-UHFFFAOYSA-N	246.200	4.547	50	50	BJGA	in-vitro
CCCCCCCCCCCBr	2031404	IKPSIIAXIDAQLG-UHFFFAOYSA-N	235.209	4.912	50	50	BJGA	
FS(F)(F)(F)(F)c1ccc(Cl)cc1	100043584	AZOPETVFRMSFNY-UHFFFAOYSA-N	238.608	4.997	50	50	BJGA	
CC(C)(C)[Si](C)(C)Oc1ccc2[nH]ccc2c1	169747470	LUUANNCTVICLCJ-UHFFFAOYSA-N	247.414	4.552	50	50	BJGA	in-vitro
N#CC(C#N)=C1CCCCCCCCCCC1	3121800	LWFJKMCHZSHQKG-UHFFFAOYSA-N	230.355	4.635	50	50	BJGA	
Clc1ccc([C@@H](Cl)c2ccccc2)cc1	155295	ALKWTKGPKKAZMN-ZDUSSCGKSA-N	237.129	4.668	50	50	BJGA