smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H]1O[C@@H](n2cc(I)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000001704285	210365737	/nfs/dbraw/zinc/36/57/37/210365737.db2.gz	BWDXUTXDYPZYSA-JKUQZMGJSA-N	-2	3	368.083	-1.126	1	0		FAAFHL
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000003869497	574412100	/nfs/dbraw/zinc/41/21/00/574412100.db2.gz	RQRINYISXYAZKL-MRKVFDINSA-N	-3	3	356.228	-3.751	1	0	endogenous,in-man	FAAFHL
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000008551686	560209379	/nfs/dbraw/zinc/20/93/79/560209379.db2.gz	RQRINYISXYAZKL-ALEPSDHESA-N	-3	3	356.228	-3.751	1	0	endogenous,in-vitro	FAAFHL
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000008551687	560209362	/nfs/dbraw/zinc/20/93/62/560209362.db2.gz	RQRINYISXYAZKL-RVJQKOHUSA-N	-3	3	356.228	-3.751	1	0	endogenous,in-vitro	FAAFHL
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000008551688	560209385	/nfs/dbraw/zinc/20/93/85/560209385.db2.gz	RQRINYISXYAZKL-IWGUZYHVSA-N	-3	3	356.228	-3.751	1	0	endogenous,in-vitro	FAAFHL
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000008551689	560209337	/nfs/dbraw/zinc/20/93/37/560209337.db2.gz	RQRINYISXYAZKL-FKZODXBYSA-N	-3	3	356.228	-3.751	1	0	endogenous,in-vitro	FAAFHL
Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[n-]1	ZINC000012501482	574413057	/nfs/dbraw/zinc/41/30/57/574413057.db2.gz	AQIVLFLYHYFRKU-LMVFSUKVSA-N	-3	3	363.223	-2.247	1	0	endogenous,in-man	FAAFHL
O=C([O-])[C@H](CCc1nnn[n-]1)NC(=O)N[C@@H](CCc1nnn[n-]1)C(=O)[O-]	ZINC000013559946	211039385	/nfs/dbraw/zinc/03/93/85/211039385.db2.gz	CJGKWYDINDMVEE-WDSKDSINSA-N	-4	3	368.314	-2.516	1	0		FAAFHL
O=C([O-])[C@H](CCc1nn[n-]n1)NC(=O)N[C@@H](CCc1nnn[n-]1)C(=O)[O-]	ZINC000013559946	211039383	/nfs/dbraw/zinc/03/93/83/211039383.db2.gz	CJGKWYDINDMVEE-WDSKDSINSA-N	-4	3	368.314	-2.516	1	0		FAAFHL
N[C@H](Cn1ccc(=O)n(Cc2ccc(P(=O)([O-])[O-])cc2)c1=O)C(=O)[O-]	ZINC000013686099	211048074	/nfs/dbraw/zinc/04/80/74/211048074.db2.gz	LADIYNLZGUDYMF-LLVKDONJSA-N	-3	3	369.270	-1.727	1	0		FAAFHL
N[C@@H](Cn1ccc(=O)n(Cc2ccc(S(=O)(=O)[O-])cc2)c1=O)C(=O)[O-]	ZINC000013686103	211049345	/nfs/dbraw/zinc/04/93/45/211049345.db2.gz	GLDOLXHQGHKSAD-NSHDSACASA-N	-2	3	369.355	-1.283	1	0		FAAFHL
[NH3+][C@@H](CCC(=O)N[C@@H](CSC(=O)N[O-])C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000013814497	220096124	/nfs/dbraw/zinc/09/61/24/220096124.db2.gz	NGLIRLVZDIZCEF-WDSKDSINSA-N	-2	3	366.352	-2.304	1	0		FAAFHL
CC(C)C[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCP(=O)([O-])[O-]	ZINC000013817886	220097099	/nfs/dbraw/zinc/09/70/99/220097099.db2.gz	BMRQSKYAPLJFKP-IUCAKERBSA-N	-2	3	353.312	-1.039	1	0		FAAFHL
Nc1nc2c([nH]c(=O)n2[C@@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[n-]1	ZINC000034921122	574414251	/nfs/dbraw/zinc/41/42/51/574414251.db2.gz	AQIVLFLYHYFRKU-YUPRTTJUSA-N	-3	3	363.223	-2.247	1	0	endogenous,in-man	FAAFHL
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[n-]1	ZINC000040165415	574414609	/nfs/dbraw/zinc/41/46/09/574414609.db2.gz	AQIVLFLYHYFRKU-VAYJURFESA-N	-3	3	363.223	-2.247	1	0	endogenous,in-man	FAAFHL
Nc1c(F)c(=O)[n-]c(=O)n1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000040406933	208251989	/nfs/dbraw/zinc/25/19/89/208251989.db2.gz	OLBMCLUPWOAIRA-UMMCILCDSA-N	-3	3	357.187	-3.014	1	0	in-vivo	FAAFHL
C[C@H]1O[C@@H](n2c(NCCP(=O)([O-])[O-])nc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000040412683	208253746	/nfs/dbraw/zinc/25/37/46/208253746.db2.gz	OWKDQAWLQICRLN-IOSLPCCCSA-N	-2	3	374.294	-1.363	1	0		FAAFHL
N[C@@H](CC(=O)[O-])C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000045370645	205121159	/nfs/dbraw/zinc/12/11/59/205121159.db2.gz	DEMJKVUJSKHPIJ-RBXMUDONSA-N	-2	3	361.282	-2.331	1	0		FAAFHL
C=Cc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049089277	221019819	/nfs/dbraw/zinc/01/98/19/221019819.db2.gz	GJSWNSHGOOIJLU-GKYFRMCYSA-N	-3	3	374.246	-1.509	1	0		FAAFHL
O=c1[n-]cnc2c1NCN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000062178454	212030107	/nfs/dbraw/zinc/03/01/07/212030107.db2.gz	JTAKDJLNMDBJEP-KQYNXXCUSA-N	-3	3	350.224	-2.485	1	0		FAAFHL
NC(=O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP(=O)([O-])[O-])[C@@H](O)[C@H]1F	ZINC000071294566	221340202	/nfs/dbraw/zinc/34/02/02/221340202.db2.gz	FLGPUWQGILXFGV-FJGDRVTGSA-N	-2	3	353.199	-2.590	1	0		FAAFHL
Nc1nc2c(ncn2[C@H]2CN(C(=O)CP(=O)([O-])[O-])C[C@H]2O)c(=O)[nH]1	ZINC000096913403	222138908	/nfs/dbraw/zinc/13/89/08/222138908.db2.gz	PIHCTBQWWHFPNB-NTSWFWBYSA-N	-2	3	358.251	-2.376	1	0	in-vitro	FAAFHL
CCO[P@@](=O)([O-])OC[C@H]1O[C@@H](c2n[nH]c(C(N)=O)c2[O-])[C@H](O)[C@@H]1O	ZINC000169329034	206251772	/nfs/dbraw/zinc/25/17/72/206251772.db2.gz	YKOGBOZAUNZKJY-KDHVDLPUSA-N	-2	3	367.251	-2.989	1	0		FAAFHL