smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOC(C)(C)C1=CC[C@@H](C)CC1	ZINC000005853675	166196099	/nfs/dbraw/zinc/19/60/99/166196099.db2.gz	GZVCPWAZIZCHNK-LLVKDONJSA-N	0	0	194.318	3.714	1	30		AHEFRN
C=CCOC(C)(C)C1=CC[C@H](C)CC1	ZINC000006437694	166195680	/nfs/dbraw/zinc/19/56/80/166195680.db2.gz	GZVCPWAZIZCHNK-NSHDSACASA-N	0	0	194.318	3.714	1	30		AHEFRN
C/C=C\CC1=C(C)C(=O)CCC1(C)C	ZINC000014587717	571712970	/nfs/dbraw/zinc/71/29/70/571712970.db2.gz	CVDHBGKYPTUEAA-WAYWQWQTSA-N	0	0	192.302	3.658	1	30	endogenous,in-man	AHEFRN
C/C(CC(C)(C)C1CCCCC1)=N\O	ZINC000015979983	166057151	/nfs/dbraw/zinc/05/71/51/166057151.db2.gz	BIMSDICOWVHGGB-JLHYYAGUSA-N	0	0	197.322	3.833	1	30		AHEFRN
Cc1cccc2c1C1=C(CCCC1)C2=O	ZINC000026254694	168877750	/nfs/dbraw/zinc/87/77/50/168877750.db2.gz	FYORTQUIUKLDTP-UHFFFAOYSA-N	0	0	198.265	3.519	1	30		AHEFRN
C=C(C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H](C)[C@H]3[C@@H]21	ZINC000044306338	166130771	/nfs/dbraw/zinc/13/07/71/166130771.db2.gz	NEADJUFZWWJHJS-FAYOZSNISA-N	0	0	190.330	3.881	1	30		AHEFRN
C=C(C)[C@H]1CC[C@@H]2[C@H]3CC[C@H](C)[C@H]3[C@@H]21	ZINC000044306341	166130440	/nfs/dbraw/zinc/13/04/40/166130440.db2.gz	NEADJUFZWWJHJS-YHBOFVJASA-N	0	0	190.330	3.881	1	30		AHEFRN
C=C(C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](C)[C@H]3[C@@H]21	ZINC000044306343	166130504	/nfs/dbraw/zinc/13/05/04/166130504.db2.gz	NEADJUFZWWJHJS-KLVXDSBYSA-N	0	0	190.330	3.881	1	30		AHEFRN
C=C(C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H](C)[C@H]3[C@@H]21	ZINC000044306346	166128584	/nfs/dbraw/zinc/12/85/84/166128584.db2.gz	NEADJUFZWWJHJS-PRSXHHODSA-N	0	0	190.330	3.881	1	30		AHEFRN
C=C[C@@H]1C(=C)CCCC1(C)C	ZINC000059586912	560082806	/nfs/dbraw/zinc/08/28/06/560082806.db2.gz	YRBXRKRLOGXJAN-SNVBAGLBSA-N	0	0	150.265	3.555	1	30	biogenic,in-vitro	AHEFRN
C1#CCCCCCCCCC1	ZINC000064624320	166070917	/nfs/dbraw/zinc/07/09/17/166070917.db2.gz	PJIYBBSKJDMKBC-UHFFFAOYSA-N	0	0	150.265	3.514	1	30	in-vitro	AHEFRN
C1#CCCCCCCCCCC1	ZINC000064624321	166071947	/nfs/dbraw/zinc/07/19/47/166071947.db2.gz	BYDOJAHKOHCERE-UHFFFAOYSA-N	0	0	164.292	3.904	1	30	in-vitro	AHEFRN
C=C(CCCC)OCCCCC	ZINC000085531097	560073227	/nfs/dbraw/zinc/07/32/27/560073227.db2.gz	CEBZXOFGKBCBHX-UHFFFAOYSA-N	0	0	170.296	3.897	1	30	biogenic,in-vitro	AHEFRN
CC(C)CC1=CC[C@H](C(C)C)CC1=O	ZINC000085947902	571791966	/nfs/dbraw/zinc/79/19/66/571791966.db2.gz	RRVUWHZNUXPZBP-NSHDSACASA-N	0	0	194.318	3.594	1	30	endogenous,in-man	AHEFRN
CC(C)CC1=CC[C@@H](C(C)C)CC1=O	ZINC000085947905	571791882	/nfs/dbraw/zinc/79/18/82/571791882.db2.gz	RRVUWHZNUXPZBP-LLVKDONJSA-N	0	0	194.318	3.594	1	30	endogenous,in-man	AHEFRN
C=C1[C@H]2[C@@H]1CCC1=CCC[C@@H](C)[C@]12C	ZINC000086047481	560065964	/nfs/dbraw/zinc/06/59/64/560065964.db2.gz	DDBCGKCAUYNHJO-WBMYTEFPSA-N	0	0	188.314	3.945	1	30	biogenic,in-vitro	AHEFRN
C=C1[C@H]2[C@@H]1CC=C1CCC[C@@H](C)[C@]12C	ZINC000095911258	560058294	/nfs/dbraw/zinc/05/82/94/560058294.db2.gz	IFQVVDCVUZBDNP-WBMYTEFPSA-N	0	0	188.314	3.945	1	30	biogenic,in-vitro	AHEFRN
C=C1[C@H]2[C@@H]1CC=C1C=CC[C@@H](C)[C@]12C	ZINC000095911259	560058273	/nfs/dbraw/zinc/05/82/73/560058273.db2.gz	SAIRXKYZNUJSKG-WBMYTEFPSA-N	0	0	186.298	3.721	1	30	biogenic,in-vitro	AHEFRN
C=C(CC)CCC=C(C)C	ZINC000096328684	166134266	/nfs/dbraw/zinc/13/42/66/166134266.db2.gz	URHLAZIFTACBJA-UHFFFAOYSA-N	0	0	138.254	3.699	1	30		AHEFRN
C/C=C/C#CC#C/C=C/C=C/CCCC	ZINC000096336241	171224544	/nfs/dbraw/zinc/22/45/44/171224544.db2.gz	BXCQMFBOESMZEZ-DLDWCUKGSA-N	0	0	198.309	3.872	1	30		AHEFRN
CCCCCCCC[C@H](O)CCC	ZINC000205467938	344373225	/nfs/dbraw/zinc/37/32/25/344373225.db2.gz	VXUSVMNRPRUHCH-GFCCVEGCSA-N	0	0	185.331	3.712	2	30		AHEFRN
CCCCCCCC[C@@H](O)CCC	ZINC000205467958	344373210	/nfs/dbraw/zinc/37/32/10/344373210.db2.gz	VXUSVMNRPRUHCH-LBPRGKRZSA-N	0	0	185.331	3.712	2	30		AHEFRN
CCCCCCCc1ccc[nH]1	ZINC000306121385	572944306	/nfs/dbraw/zinc/94/43/06/572944306.db2.gz	GGKQDMWESGPEES-UHFFFAOYSA-N	0	0	165.280	3.705	2	30		AHEFRN