smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@H]2CC[C@]1(C)[C@@H](O[P@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000008218277	560207291	/nfs/dbraw/zinc/20/72/91/560207291.db2.gz	VZPAJODTZAAANV-OYNCUSHFSA-N	-3	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@@H](O[P@@](=O)([O-])OP(=O)([O-])O)C2	ZINC000008218277	560207293	/nfs/dbraw/zinc/20/72/93/560207293.db2.gz	VZPAJODTZAAANV-OYNCUSHFSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@@H](O[P@](=O)([O-])OP(=O)([O-])O)C2	ZINC000008218277	560207295	/nfs/dbraw/zinc/20/72/95/560207295.db2.gz	VZPAJODTZAAANV-OYNCUSHFSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OP(=O)([O-])O[P@@](=O)([O-])O)C2	ZINC000008218277	560207296	/nfs/dbraw/zinc/20/72/96/560207296.db2.gz	VZPAJODTZAAANV-OYNCUSHFSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OP(=O)([O-])O[P@](=O)([O-])O)C2	ZINC000008218277	560207299	/nfs/dbraw/zinc/20/72/99/560207299.db2.gz	VZPAJODTZAAANV-OYNCUSHFSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
O=C([O-])c1ccc(CSc2nc3c(c(=O)[n-]2)CCC3)cc1	ZINC000020394407	182214453	/nfs/dbraw/zinc/21/44/53/182214453.db2.gz	UFCNXRFIGHNKSK-UHFFFAOYSA-N	-2	1	302.355	2.249	3	0		DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OP(=O)([O-])O[P@](=O)([O-])O)C2	ZINC000003647962	560189160	/nfs/dbraw/zinc/18/91/60/560189160.db2.gz	VZPAJODTZAAANV-MRTMQBJTSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@](=O)([O-])OP(=O)([O-])O)C2	ZINC000003647962	560189157	/nfs/dbraw/zinc/18/91/57/560189157.db2.gz	VZPAJODTZAAANV-MRTMQBJTSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OP(=O)([O-])O[P@@](=O)([O-])O)C2	ZINC000003647962	560189158	/nfs/dbraw/zinc/18/91/58/560189158.db2.gz	VZPAJODTZAAANV-MRTMQBJTSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000003647962	560189154	/nfs/dbraw/zinc/18/91/54/560189154.db2.gz	VZPAJODTZAAANV-MRTMQBJTSA-N	-3	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O[P@@](=O)([O-])OP(=O)([O-])O)C2	ZINC000003647962	560189155	/nfs/dbraw/zinc/18/91/55/560189155.db2.gz	VZPAJODTZAAANV-MRTMQBJTSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
COc1cc2ccnc3ccn(C)c(c1OP(=O)([O-])[O-])c23	ZINC000038785072	183009854	/nfs/dbraw/zinc/00/98/54/183009854.db2.gz	LQLHTSTVFWAXBX-UHFFFAOYSA-N	-2	1	308.230	2.207	1	0		DEAFML
Cc1nc(SCCC(=O)[O-])[n-]c(=O)c1Cc1ccccc1	ZINC000006752735	181383306	/nfs/dbraw/zinc/38/33/06/181383306.db2.gz	SUZXHTCQNNJJHQ-UHFFFAOYSA-N	-2	1	304.371	2.236	1	0		DEAFML
CC(C)CC(=O)c1c([O-])cc(O)c(C(=O)CCCC(=O)[O-])c1O	ZINC000040933511	183148695	/nfs/dbraw/zinc/14/86/95/183148695.db2.gz	VJWJDUFPZVURQG-UHFFFAOYSA-N	-2	1	324.329	2.470	1	0		DEAFML
CC(C)CC(=O)c1c(O)cc([O-])c(C(=O)CCCC(=O)[O-])c1O	ZINC000040933511	183148696	/nfs/dbraw/zinc/14/86/96/183148696.db2.gz	VJWJDUFPZVURQG-UHFFFAOYSA-N	-2	1	324.329	2.470	1	0		DEAFML
CC(C)=C[C@@H]1[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)C1(C)C	ZINC000013542931	560219428	/nfs/dbraw/zinc/21/94/28/560219428.db2.gz	AORLUAKWVIEOLL-BDAKNGLRSA-N	-2	1	314.211	2.451	1	0	in-vitro	DEAFML
CC(C)=C[C@@H]1[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)C1(C)C	ZINC000013542931	560219429	/nfs/dbraw/zinc/21/94/29/560219429.db2.gz	AORLUAKWVIEOLL-BDAKNGLRSA-N	-2	1	314.211	2.451	1	0	in-vitro	DEAFML
CC(C)=C[C@H]1[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)C1(C)C	ZINC000013542932	560219400	/nfs/dbraw/zinc/21/94/00/560219400.db2.gz	AORLUAKWVIEOLL-IUCAKERBSA-N	-2	1	314.211	2.451	1	0	in-vitro	DEAFML
CC(C)=C[C@H]1[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)C1(C)C	ZINC000013542932	560219402	/nfs/dbraw/zinc/21/94/02/560219402.db2.gz	AORLUAKWVIEOLL-IUCAKERBSA-N	-2	1	314.211	2.451	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OP(=O)([O-])O[P@](=O)([O-])O)C2	ZINC000008218282	560207343	/nfs/dbraw/zinc/20/73/43/560207343.db2.gz	VZPAJODTZAAANV-WEDXCCLWSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000008218282	560207336	/nfs/dbraw/zinc/20/73/36/560207336.db2.gz	VZPAJODTZAAANV-WEDXCCLWSA-N	-3	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P@@](=O)([O-])OP(=O)([O-])O)C2	ZINC000008218282	560207338	/nfs/dbraw/zinc/20/73/38/560207338.db2.gz	VZPAJODTZAAANV-WEDXCCLWSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[P@](=O)([O-])OP(=O)([O-])O)C2	ZINC000008218282	560207339	/nfs/dbraw/zinc/20/73/39/560207339.db2.gz	VZPAJODTZAAANV-WEDXCCLWSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OP(=O)([O-])O[P@@](=O)([O-])O)C2	ZINC000008218282	560207341	/nfs/dbraw/zinc/20/73/41/560207341.db2.gz	VZPAJODTZAAANV-WEDXCCLWSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CCc1oc(=O)c(Cc2c([O-])c(C)c(CC)oc2=O)c([O-])c1C	ZINC000015268745	401817040	/nfs/dbraw/zinc/81/70/40/401817040.db2.gz	BYRZLWJKTOLLBX-UHFFFAOYSA-N	-2	1	320.341	2.337	1	0	endogenous,in-man	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@H](O[P@](=O)([O-])OP(=O)([O-])[O-])C2	ZINC000001529602	560180944	/nfs/dbraw/zinc/18/09/44/560180944.db2.gz	VZPAJODTZAAANV-QXFUBDJGSA-N	-3	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@H](O[P@@](=O)([O-])OP(=O)([O-])O)C2	ZINC000001529602	560180946	/nfs/dbraw/zinc/18/09/46/560180946.db2.gz	VZPAJODTZAAANV-QXFUBDJGSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@H](O[P@](=O)([O-])OP(=O)([O-])O)C2	ZINC000001529602	560180947	/nfs/dbraw/zinc/18/09/47/560180947.db2.gz	VZPAJODTZAAANV-QXFUBDJGSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@H](OP(=O)([O-])O[P@@](=O)([O-])O)C2	ZINC000001529602	560180949	/nfs/dbraw/zinc/18/09/49/560180949.db2.gz	VZPAJODTZAAANV-QXFUBDJGSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
CC1(C)[C@H]2CC[C@]1(C)[C@H](OP(=O)([O-])O[P@](=O)([O-])O)C2	ZINC000001529602	560180950	/nfs/dbraw/zinc/18/09/50/560180950.db2.gz	VZPAJODTZAAANV-QXFUBDJGSA-N	-2	1	314.211	2.428	1	0	in-vitro	DEAFML
O=C([O-])C1N=C(Cc2ccc(Cl)c(Cl)c2)[N-]C(=O)C1=O	ZINC000042920129	183318080	/nfs/dbraw/zinc/31/80/80/183318080.db2.gz	OZDSTVKQUHMIRA-UHFFFAOYSA-N	-2	1	315.112	2.071	1	0	in-vitro	DEAFML
CC(C)=C[C@H]1[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)C1(C)C	ZINC000013542930	560219411	/nfs/dbraw/zinc/21/94/11/560219411.db2.gz	AORLUAKWVIEOLL-DTWKUNHWSA-N	-2	1	314.211	2.451	1	0	in-vitro	DEAFML
CC(C)=C[C@H]1[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)C1(C)C	ZINC000013542930	560219412	/nfs/dbraw/zinc/21/94/12/560219412.db2.gz	AORLUAKWVIEOLL-DTWKUNHWSA-N	-2	1	314.211	2.451	1	0	in-vitro	DEAFML