smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCCCCCC(C)(C)C	88260429	WBWYXWILSHQILH-UHFFFAOYSA-N	170.340	4.783	30	40	AJEB	
C=C(C)C[C@H](C)CCCCCCC	101105466	GDPJPECVTBKXDX-CYBMUJFWSA-N	182.351	4.949	30	40	AJEB	
CCCCCCC[C@@H](C)C(C)C	100014004	ZCTGYLNFWOQVHV-GFCCVEGCSA-N	170.340	4.639	30	40	AJEB	
C=C(C)C[C@H](C)CCCCCC	82088697	DCJZDSLNTFHRSM-GFCCVEGCSA-N	168.324	4.559	30	40	AJEB	
CCCCC(CC#N)(CCC)CCC	1730862	WKYGOEZDIDTHEE-UHFFFAOYSA-N	195.350	4.677	30	40	AJEB	
C#CCCCCCCCCCCC	2560573	GZEDKDBFUBPZNG-UHFFFAOYSA-N	180.335	4.541	30	40	AJEB	
C=C(C)CC[C@@H](C)CCCCC	95902282	HACXTONBHYHNPX-LBPRGKRZSA-N	168.324	4.559	30	40	AJEB	
C=CC[C@H](C)CCCCCCCC	101106556	JPZCIALVHBNFLD-ZDUSSCGKSA-N	182.351	4.949	30	40	AJEB	
C=CCCCCCCCCCC=C	95871122	BPHFKBMQSYYNGQ-UHFFFAOYSA-N	180.335	4.869	30	40	AJEB	
CCCCCCCCc1cccs1	1845594	GIFWAJGKWIDXMY-UHFFFAOYSA-N	196.359	4.651	30	40	AJEB	in-vitro
CCCCCCCCCC[Si](C)C	195816216	AHQMQQYLFHXPOE-UHFFFAOYSA-N	199.434	4.882	30	40	AJEB	
C=C(C)CCC[C@@H](C)CC(C)(C)C	95902320	ADJIJUQDRSJNOE-GFCCVEGCSA-N	182.351	4.805	30	40	AJEB	
C/C=C/C=C/CCCCCCCC	146170237	HFAGKWGYNSOXHB-WJDMQLPWSA-N	180.335	4.869	30	40	AJEB	
C=C1CCCCCCCCCCC1	2145730	FCUMNEBCUZTVQN-UHFFFAOYSA-N	180.335	4.847	30	40	AJEB	
C=C(C)C[C@@H](CC)CCCCC	95902302	SWPLKWWUDDDXFU-LBPRGKRZSA-N	168.324	4.559	30	40	AJEB	
CCCCCCCC[Si](C)(C)C	195762266	OYOGCAUNFUJOMO-UHFFFAOYSA-N	186.415	4.685	30	40	AJEB	
CCCCCCC[C@@H]1CCCC1=S	228949662	BBCWMXWRENNOFV-LLVKDONJSA-N	198.375	4.517	30	40	AJEB	
C=C(C)CCCC1CCCCCC1	95902240	KDZQZYDYFTXKRY-UHFFFAOYSA-N	180.335	4.703	30	40	AJEB	
C=C(C)CC[C@@H](CC)CCCC	60251977	ZKIDCFZEIQWHHT-LBPRGKRZSA-N	168.324	4.559	30	40	AJEB	
C=CC[C@@H](C)CCCCCCCC	101106554	JPZCIALVHBNFLD-CYBMUJFWSA-N	182.351	4.949	30	40	AJEB	
CCCCCCCCCC(C)C	2575425	GTJOHISYCKPIMT-UHFFFAOYSA-N	170.340	4.783	30	40	AJEB	biogenic,in-man
C=C(C)CC[C@H](CC)CCCC	60251976	ZKIDCFZEIQWHHT-GFCCVEGCSA-N	168.324	4.559	30	40	AJEB	
CCCCCCC[C@H]1CCCC1=S	228949674	BBCWMXWRENNOFV-NSHDSACASA-N	198.375	4.517	30	40	AJEB	
C=CCC/C=C/CC/C=C/CCC=C	2569757	DHLQCLRZNQGXIE-WGDLNXRISA-N	190.330	4.811	30	40	AJEB	
C=C(Cl)CCCCCCCCC	2567442	LWABGZMRUSFJAS-UHFFFAOYSA-N	188.742	4.880	30	40	AJEB	
C=C(C)C[C@@H](C)CCCCCCC	101105463	GDPJPECVTBKXDX-ZDUSSCGKSA-N	182.351	4.949	30	40	AJEB	
CCCCCCCCC(F)=C(F)F	2530943	VAKNUCCHIZRRRF-UHFFFAOYSA-N	194.240	4.815	30	40	AJEB	
CCCCCCCCC1CCCC1	111334072	HARXDULSBROLME-UHFFFAOYSA-N	182.351	4.927	30	40	AJEB	biogenic,in-vitro
CCCC/C=C\CCCCCC	80767013	ZOKYTRIEIDWYSG-LUAWRHEFSA-N	168.324	4.703	30	40	AJEB	
C=C(C)C[C@@H](C)CCCCCC	82088698	DCJZDSLNTFHRSM-LBPRGKRZSA-N	168.324	4.559	30	40	AJEB	
C=C(C)CCC[C@H](C)CC(C)(C)C	95902319	ADJIJUQDRSJNOE-LBPRGKRZSA-N	182.351	4.805	30	40	AJEB	
C=CCC/C=C\CC/C=C/CCC=C	83253116	DHLQCLRZNQGXIE-DSOJMZEYSA-N	190.330	4.811	30	40	AJEB	
CCCCCCC[C@H](C)C(C)C	2528267	ZCTGYLNFWOQVHV-LBPRGKRZSA-N	170.340	4.639	30	40	AJEB	
C=C(C)CCCCC1CCCCC1	95902245	KMHLMDOIHVQSSF-UHFFFAOYSA-N	180.335	4.703	30	40	AJEB	
C=CCC/C=C\CC/C=C\CCC=C	83253114	DHLQCLRZNQGXIE-HWAYABPNSA-N	190.330	4.811	30	40	AJEB	
CCCCCCCCCC(F)(F)F	79469085	IGGXVAUUTYVHBN-UHFFFAOYSA-N	196.256	4.689	30	40	AJEB	
C=C(C)CC[C@H](C)CCCCC	95902281	HACXTONBHYHNPX-GFCCVEGCSA-N	168.324	4.559	30	40	AJEB	
CCCCCCCCCC(C)=S	166457381	HLSJNXPYJBCBTR-UHFFFAOYSA-N	186.364	4.517	30	40	AJEB	
C=C1CC=CC(C)(C)CC=C(C)CC1	2558000	NFHLNYDFUOUFPZ-UHFFFAOYSA-N	190.330	4.645	30	40	AJEB	
C=C(C)C[C@H](CC)CCCCC	95902301	SWPLKWWUDDDXFU-GFCCVEGCSA-N	168.324	4.559	30	40	AJEB