smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2c(C)ccc(C(C)C)cc1-2	ZINC000000968478	342942672	/nfs/dbraw/zinc/94/26/72/342942672.db2.gz	FWKQNCXZGNBPFD-UHFFFAOYSA-N	0	0	198.309	4.532	50	0	endogenous,in-man	AJAARN
C(CC1CCCCC1)C1CCCCC1	ZINC000001609641	166088204	/nfs/dbraw/zinc/08/82/04/166088204.db2.gz	IBLVSWYGUFGDMF-UHFFFAOYSA-N	0	0	194.362	4.927	50	0		AJAARN
CCCCCCC1CCCCC1	ZINC000001615765	342952269	/nfs/dbraw/zinc/95/22/69/342952269.db2.gz	QHWAQXOSHHKCFK-UHFFFAOYSA-N	0	0	168.324	4.537	50	0	biogenic,in-vitro	AJAARN
Cc1cc(C)c(C(C)C)cc1C(C)C	ZINC000001725969	342962751	/nfs/dbraw/zinc/96/27/51/342962751.db2.gz	PUPZFBLFGPJICA-UHFFFAOYSA-N	0	0	190.330	4.550	50	0		AJAARN
Cc1cc(C(C)C)c(C)cc1C(C)C	ZINC000001736680	342963459	/nfs/dbraw/zinc/96/34/59/342963459.db2.gz	MBEBPYJMHLBHDJ-UHFFFAOYSA-N	0	0	190.330	4.550	50	0		AJAARN
C(=C/C1CCCCC1)\C1CCCCC1	ZINC000002173027	166045210	/nfs/dbraw/zinc/04/52/10/166045210.db2.gz	IWUAWQPCHKUUCI-VAWYXSNFSA-N	0	0	192.346	4.703	50	0		AJAARN
CCCC[C@@H](CC)Cc1ccsc1	ZINC000002392494	342972139	/nfs/dbraw/zinc/97/21/39/342972139.db2.gz	HWMQCIZYXLAJKM-LLVKDONJSA-N	0	0	196.359	4.507	50	0		AJAARN
CCCC[C@H](CC)Cc1ccsc1	ZINC000034291463	343115770	/nfs/dbraw/zinc/11/57/70/343115770.db2.gz	HWMQCIZYXLAJKM-NSHDSACASA-N	0	0	196.359	4.507	50	0		AJAARN
C1CCCCCCCCCCC1	ZINC000054962163	166090387	/nfs/dbraw/zinc/09/03/87/166090387.db2.gz	DDTBPAQBQHZRDW-UHFFFAOYSA-N	0	0	168.324	4.681	50	0		AJAARN
CCCC[C@@H]1CCC[C@H]2CCCC[C@H]12	ZINC000055168182	343334725	/nfs/dbraw/zinc/33/47/25/343334725.db2.gz	SVAKAMBIIAHLSL-MGPQQGTHSA-N	0	0	194.362	4.783	50	0		AJAARN
CCCC[C@@H]1CCC[C@@H]2CCCC[C@H]12	ZINC000055168187	166920698	/nfs/dbraw/zinc/92/06/98/166920698.db2.gz	SVAKAMBIIAHLSL-HZSPNIEDSA-N	0	0	194.362	4.783	50	0		AJAARN
C=C/C=C/C[C@@H](C)CCC=C(C)C	ZINC000068564297	166141565	/nfs/dbraw/zinc/14/15/65/166141565.db2.gz	JAAJLIGVBQXALP-KTRBRXNASA-N	0	0	178.319	4.501	50	0		AJAARN
C=C/C=C/C[C@H](C)CCC=C(C)C	ZINC000068564302	166141156	/nfs/dbraw/zinc/14/11/56/166141156.db2.gz	JAAJLIGVBQXALP-YBJDMEARSA-N	0	0	178.319	4.501	50	0		AJAARN
CC/C=C/C[C@@H](C)CCC=C(C)C	ZINC000068564305	171105147	/nfs/dbraw/zinc/10/51/47/171105147.db2.gz	XIPNLMQVTICUGP-KTRBRXNASA-N	0	0	180.335	4.725	50	0		AJAARN
CC/C=C/C[C@H](C)CCC=C(C)C	ZINC000068564309	171104948	/nfs/dbraw/zinc/10/49/48/171104948.db2.gz	XIPNLMQVTICUGP-YBJDMEARSA-N	0	0	180.335	4.725	50	0		AJAARN
CC(C)=C1CCC(C(C)(C)C)CC1	ZINC000071782804	171108512	/nfs/dbraw/zinc/10/85/12/171108512.db2.gz	PDZIHQLAPPHQKA-UHFFFAOYSA-N	0	0	180.335	4.559	50	0		AJAARN
CCC1CCCCCCCCC1	ZINC000071785333	166812361	/nfs/dbraw/zinc/81/23/61/166812361.db2.gz	MWVFVBBYAJKJME-UHFFFAOYSA-N	0	0	168.324	4.537	50	0		AJAARN
CCC/C=C\CCC/C=C\CCC	ZINC000098174972	171142465	/nfs/dbraw/zinc/14/24/65/171142465.db2.gz	GKTYKLMDPISOLJ-XOHWUJONSA-N	0	0	180.335	4.869	50	0		AJAARN
CCCC[C@@H]1CCC[C@@H]2CCCC[C@@H]12	ZINC000100229368	343713284	/nfs/dbraw/zinc/71/32/84/343713284.db2.gz	SVAKAMBIIAHLSL-RDBSUJKOSA-N	0	0	194.362	4.783	50	0		AJAARN
CCCC[C@@H]1CCC[C@H]2CCCC[C@@H]12	ZINC000100229375	343713270	/nfs/dbraw/zinc/71/32/70/343713270.db2.gz	SVAKAMBIIAHLSL-MCIONIFRSA-N	0	0	194.362	4.783	50	0		AJAARN