smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)CCNc1ccc(N)cc1	123818003	573195836	/nfs/dbraw/zinc/19/58/36/573195836.db2.gz	RUJYEQAVROFPQF-UHFFFAOYSA-N	0	0	192.306	3.117	20	10		AGCDRN
CCC(CC)CNc1ccc(N)cc1	130204189	573480961	/nfs/dbraw/zinc/48/09/61/573480961.db2.gz	PCHXWOYQCJJBBA-UHFFFAOYSA-N	0	0	192.306	3.117	20	10		AGCDRN
CC[C@@H](C)Sc1nccs1	306417881	674073192	/nfs/dbraw/zinc/07/31/92/674073192.db2.gz	UKFSCQJYDZTHCX-ZCFIWIBFSA-N	0	0	173.306	3.034	20	10		AGCDRN
C1=CCC(CSc2nccs2)C1	1350107138	1170517398	/nfs/dbraw/zinc/51/73/98/1170517398.db2.gz	CHZPQJXMKKNTER-UHFFFAOYSA-N	0	0	197.328	3.201	20	10		AGCDRN
CC(C)Nc1ccccc1NC(C)C	39617937	571934157	/nfs/dbraw/zinc/93/41/57/571934157.db2.gz	SONZQXSTWXOYSD-UHFFFAOYSA-N	0	0	192.306	3.327	20	10		AGCDRN
CCCCSc1nccs1	32137546	571966650	/nfs/dbraw/zinc/96/66/50/571966650.db2.gz	DUAWSZNZLQCXRT-UHFFFAOYSA-N	0	0	173.306	3.035	20	10		AGCDRN
CCCCCSc1nccs1	307926734	572775456	/nfs/dbraw/zinc/77/54/56/572775456.db2.gz	RJQHAOKQWHCXAC-UHFFFAOYSA-N	0	0	187.333	3.425	20	10		AGCDRN
C1=C(CSc2nccs2)CCC1	842548202	583126250	/nfs/dbraw/zinc/12/62/50/583126250.db2.gz	LKMXQUDOPXNRSI-UHFFFAOYSA-N	0	0	197.328	3.346	20	10		AGCDRN
CC(C)Sc1ncc(Cl)s1	849997673	583183851	/nfs/dbraw/zinc/18/38/51/583183851.db2.gz	CITJXEVULRAYNO-UHFFFAOYSA-N	0	0	193.724	3.297	20	10		AGCDRN
CCCSc1ncc(Cl)s1	849999057	583183988	/nfs/dbraw/zinc/18/39/88/583183988.db2.gz	WBAMGPAKWKKIJJ-UHFFFAOYSA-N	0	0	193.724	3.299	20	10		AGCDRN
CC(C)CCSc1nccs1	165526339	697670382	/nfs/dbraw/zinc/67/03/82/697670382.db2.gz	LDFORVSVCQJOOJ-UHFFFAOYSA-N	0	0	187.333	3.281	20	10		AGCDRN
c1csc(SCCC2CC2)n1	307669693	697748421	/nfs/dbraw/zinc/74/84/21/697748421.db2.gz	OHGKXRHWCBHHMX-UHFFFAOYSA-N	0	0	185.317	3.035	20	10		AGCDRN
CCC(CC)Sc1nccs1	307684393	697749716	/nfs/dbraw/zinc/74/97/16/697749716.db2.gz	IXHKUQOFRJNWFP-UHFFFAOYSA-N	0	0	187.333	3.424	20	10		AGCDRN
Cc1ccc(Nc2ccc(N)cc2)cc1	8412100	168827740	/nfs/dbraw/zinc/82/77/40/168827740.db2.gz	UDWOGBVGZXTOLR-UHFFFAOYSA-N	0	0	198.269	3.321	20	10		AGCDRN
c1ccc(Sc2nccs2)cc1	15781452	351378909	/nfs/dbraw/zinc/37/89/09/351378909.db2.gz	WJUZBIMIEZOALU-UHFFFAOYSA-N	0	0	193.296	3.294	20	10		AGCDRN
c1csc(SC2CCCC2)n1	307038366	629735079	/nfs/dbraw/zinc/73/50/79/629735079.db2.gz	PGKFQVVTKKEKNT-UHFFFAOYSA-N	0	0	185.317	3.178	20	10		AGCDRN
CC1(CSc2nccs2)CCC1	307287229	629758936	/nfs/dbraw/zinc/75/89/36/629758936.db2.gz	UCCKTUZHAQJXMB-UHFFFAOYSA-N	0	0	199.344	3.425	20	10		AGCDRN
c1csc(SCC2CCCC2)n1	307333617	629760897	/nfs/dbraw/zinc/76/08/97/629760897.db2.gz	QMGHVJCFQYUKMT-UHFFFAOYSA-N	0	0	199.344	3.425	20	10		AGCDRN
CCC[C@@H](C)Sc1nccs1	307703647	629808616	/nfs/dbraw/zinc/80/86/16/629808616.db2.gz	RXOBAGDBSGVUBI-SSDOTTSWSA-N	0	0	187.333	3.424	20	10		AGCDRN
CCC[C@H](C)Sc1nccs1	307703648	629808656	/nfs/dbraw/zinc/80/86/56/629808656.db2.gz	RXOBAGDBSGVUBI-ZETCQYMHSA-N	0	0	187.333	3.424	20	10		AGCDRN
CSc1ncc(C(C)(C)C)s1	306267653	630092705	/nfs/dbraw/zinc/09/27/05/630092705.db2.gz	QKUMFKCGTKDDEA-UHFFFAOYSA-N	0	0	187.333	3.163	20	10		AGCDRN
c1csc(SCC2CCC2)n1	306284072	630094072	/nfs/dbraw/zinc/09/40/72/630094072.db2.gz	JEJZCXOVUMKHRP-UHFFFAOYSA-N	0	0	185.317	3.035	20	10		AGCDRN
C1=C[C@@H](Sc2nccs2)CCC1	306398272	630101568	/nfs/dbraw/zinc/10/15/68/630101568.db2.gz	XWZPULRJDIILQS-MRVPVSSYSA-N	0	0	197.328	3.344	20	10		AGCDRN
C1=C[C@H](Sc2nccs2)CCC1	306398273	630103526	/nfs/dbraw/zinc/10/35/26/630103526.db2.gz	XWZPULRJDIILQS-QMMMGPOBSA-N	0	0	197.328	3.344	20	10		AGCDRN
CC[C@H](C)Sc1nccs1	306417879	630108384	/nfs/dbraw/zinc/10/83/84/630108384.db2.gz	UKFSCQJYDZTHCX-LURJTMIESA-N	0	0	173.306	3.034	20	10		AGCDRN
CC(C)=CCSc1nccs1	306424442	630108689	/nfs/dbraw/zinc/10/86/89/630108689.db2.gz	IJOJYEXFSBDCDG-UHFFFAOYSA-N	0	0	185.317	3.201	20	10		AGCDRN
CC(C)CCCNc1ccc(N)cc1	62100320	630873838	/nfs/dbraw/zinc/87/38/38/630873838.db2.gz	RVKFVAZGNPTWNF-UHFFFAOYSA-N	0	0	192.306	3.117	20	10		AGCDRN
c1csc(Sc2nccs2)c1	231510509	1224231573	/nfs/dbraw/zinc/23/15/73/1224231573.db2.gz	JOCOPPLIJSQNRF-UHFFFAOYSA-N	0	0	199.325	3.356	20	10		AGCDRN