smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)c1ccc(C(C)C)c(Cl)c1	1596145	DAQRAOORRPJOKE-UHFFFAOYSA-N	196.721	4.587	0	40	AJAB	
CCCC[C@H]1CCC[C@H]2CCCC[C@H]12	55168184	SVAKAMBIIAHLSL-BFHYXJOUSA-N	194.362	4.783	0	40	AJAB	
CC(C)(C)CCCCC(C)(C)C	2600001	QZUFNKONEPLWBC-UHFFFAOYSA-N	170.340	4.639	0	40	AJAB	
CCCCCC[C@@H]1CCC[C@H](C)C1	91365510	JDRSBYDVSKONQG-QWHCGFSZSA-N	182.351	4.783	0	40	AJAB	
CCCCCC[C@H]1CCC[C@H](C)C1	2558866	JDRSBYDVSKONQG-STQMWFEESA-N	182.351	4.783	0	40	AJAB	
CCCC[C@@H](CC)Cc1cccs1	80830797	JACCFQMSOHCQFN-LLVKDONJSA-N	196.359	4.507	0	40	AJAB	
CCCCCCCCC/C=C\N=[N+]=[N-]	383684187	JGQWHFNTJGZYNK-KHPPLWFESA-N	195.310	4.951	0	40	AJAB	
CCCCC(C)(C)CC(C)(C)C	2528284	TYUFTNSABIBNRY-UHFFFAOYSA-N	170.340	4.639	0	40	AJAB	in-vitro
C/C=C(/CC)c1cccc2ccccc12	79166079	MNZINXZXWOFRTN-BASWHVEKSA-N	196.293	4.653	0	40	AJAB	
CCCC[C@H]1CCC[C@@H]2CCCC[C@@H]12	100229372	SVAKAMBIIAHLSL-IHRRRGAJSA-N	194.362	4.783	0	40	AJAB	
CCCCCCC1CCC(C)CC1	2558867	KYDSKISTEAEQHZ-UHFFFAOYSA-N	182.351	4.783	0	40	AJAB	
CCCC[C@@H](C)CCCC(C)C	2528336	DHJGXZWEQBKLNV-GFCCVEGCSA-N	170.340	4.639	0	40	AJAB	
CC/C=C/C[C@H](C)CCC=C(C)C	68564309	XIPNLMQVTICUGP-YBJDMEARSA-N	180.335	4.725	0	40	AJAB	
CCC/C=C\CCC/C=C\CCC	98174972	GKTYKLMDPISOLJ-XOHWUJONSA-N	180.335	4.869	0	40	AJAB	
CCCCCCCCC/C=C/N=[N+]=[N-]	308363856	JGQWHFNTJGZYNK-ZHACJKMWSA-N	195.310	4.951	0	40	AJAB	
CCCCCC[C@H](C)c1ccccc1	54962128	GTYIGAUPHJCMLF-ZDUSSCGKSA-N	190.330	4.761	0	40	AJAB	
CCCC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	71621255	VYMIQGUNEIJWAR-HZSPNIEDSA-N	194.362	4.783	0	40	AJAB	
CC(=C/C(C)(C)C)/C(C)=C\C(C)(C)C	104134401	RONBSGMFOSUTLQ-HWAYABPNSA-N	194.362	4.971	0	40	AJAB	
CC(=C/C(C)(C)C)/C(C)=C/C(C)(C)C	1729057	RONBSGMFOSUTLQ-DSOJMZEYSA-N	194.362	4.971	0	40	AJAB	
C1CCC(CCCC2CCCC2)CC1	1670988	CPBZARXQRZTYGI-UHFFFAOYSA-N	194.362	4.927	0	40	AJAB	
CC(C)c1cc(Cl)cc(C(C)C)c1	59803904	IJPBANLIWUXUPV-UHFFFAOYSA-N	196.721	4.587	0	40	AJAB	
CC(=C\C(C)(C)C)/C(C)=C/C(C)(C)C	104134404	RONBSGMFOSUTLQ-WGDLNXRISA-N	194.362	4.971	0	40	AJAB	
CCCC[C@H](CC)Cc1cccs1	80830805	JACCFQMSOHCQFN-NSHDSACASA-N	196.359	4.507	0	40	AJAB	
CCCCCC[C@H]1CCC[C@@H](C)C1	91365512	JDRSBYDVSKONQG-OLZOCXBDSA-N	182.351	4.783	0	40	AJAB	
C1CCC(CC2CCCCC2)CC1	1674249	XXKOQQBKBHUATC-UHFFFAOYSA-N	180.335	4.537	0	40	AJAB	
CCCCCC[C@@H]1CCC[C@@H](C)C1	91365511	JDRSBYDVSKONQG-CHWSQXEVSA-N	182.351	4.783	0	40	AJAB	
CCCC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	71621259	VYMIQGUNEIJWAR-MGPQQGTHSA-N	194.362	4.783	0	40	AJAB	
CCCCCC[C@@H](C)c1ccccc1	1713123	GTYIGAUPHJCMLF-CYBMUJFWSA-N	190.330	4.761	0	40	AJAB	
CC/C=C/C[C@@H](C)CCC=C(C)C	68564305	XIPNLMQVTICUGP-KTRBRXNASA-N	180.335	4.725	0	40	AJAB	
CC(C)(C)[Si](C(C)(C)C)C(C)(C)C	195797105	STDLEZMOAXZZNH-UHFFFAOYSA-N	199.434	4.882	0	40	AJAB	
C[Si](C)(C)CC=C1CCCCCC1	196171268	ZIEJBZBGVAPUBK-UHFFFAOYSA-N	196.410	4.605	0	40	AJAB	
Cc1ccc2c(C)ccc(C(C)C)c2c1	2040470	VMOJIHDTVZTGDO-UHFFFAOYSA-N	198.309	4.580	0	40	AJAB	biogenic,in-man
CCCC[C@H](C)CCCC(C)C	71789893	DHJGXZWEQBKLNV-LBPRGKRZSA-N	170.340	4.639	0	40	AJAB	
CCCC[C@H]1CC[C@@H]2CCCC[C@@H]2C1	71621258	VYMIQGUNEIJWAR-MELADBBJSA-N	194.362	4.783	0	40	AJAB	
CCCC[C@H]1CCC[C@@H]2CCCC[C@H]12	55168191	SVAKAMBIIAHLSL-MELADBBJSA-N	194.362	4.783	0	40	AJAB	
CCCC[C@H]1CCC[C@H]2CCCC[C@@H]12	100229377	SVAKAMBIIAHLSL-MJBXVCDLSA-N	194.362	4.783	0	40	AJAB	
C=C/C=C/C[C@@H](C)CCC=C(C)C	68564297	JAAJLIGVBQXALP-KTRBRXNASA-N	178.319	4.501	0	40	AJAB	
CCCC[C@H]1CC[C@H]2CCCC[C@@H]2C1	71621261	VYMIQGUNEIJWAR-BFHYXJOUSA-N	194.362	4.783	0	40	AJAB	
C1CCC(CCC2CCCCC2)CC1	1609641	IBLVSWYGUFGDMF-UHFFFAOYSA-N	194.362	4.927	0	40	AJAB	in-vitro
C/C=C(\CC)c1cccc2ccccc12	79166078	MNZINXZXWOFRTN-KGVSQERTSA-N	196.293	4.653	0	40	AJAB	
CC(C)(C)CC(C)(C)CC(C)(C)C	2559250	LIMYLTFOQJHNJD-UHFFFAOYSA-N	184.367	4.885	0	40	AJAB	
CCC(CC)c1ccc2ccccc2c1	1704558	WXKMPZORXBGZGK-UHFFFAOYSA-N	198.309	4.743	0	40	AJAB	
C=C/C=C/C[C@H](C)CCC=C(C)C	68564302	JAAJLIGVBQXALP-YBJDMEARSA-N	178.319	4.501	0	40	AJAB