smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CC[C@H](N=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000030726513	202198505	/nfs/dbraw/zinc/19/85/05/202198505.db2.gz	PDBJJFJKNSKTSW-PFDXPIKNSA-N	-3	3	339.304	-0.883	1	30	endogenous,in-man	EBEFHL
CC[C@@H](C)[C@H](NC(=O)[C@@H]([S-])[C@H]([NH3+])CCS(=O)(=O)[O-])C(=O)[O-]	ZINC000027560692	202157816	/nfs/dbraw/zinc/15/78/16/202157816.db2.gz	ACEXQJLMDZQOBL-HXFLIBJXSA-N	-2	3	342.439	-0.495	1	30		EBEFHL
C[C@@H](Cn1cnc2c1ncnc2NC(=N)N)OCP(=O)([O-])[O-]	ZINC000029123773	202181971	/nfs/dbraw/zinc/18/19/71/202181971.db2.gz	BNPZUOBHVLFDIJ-LURJTMIESA-N	-2	3	329.257	-0.729	1	30		EBEFHL
C[C@@H](Cn1cnc2cnc(NC(=N)N)nc21)OCP(=O)([O-])[O-]	ZINC000029123717	202181589	/nfs/dbraw/zinc/18/15/89/202181589.db2.gz	VNVCCSZVRKXCAX-LURJTMIESA-N	-2	3	329.257	-0.729	1	30		EBEFHL
O=C([O-])C[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000030726452	560090808	/nfs/dbraw/zinc/09/08/08/560090808.db2.gz	YHGOPYILBIAFGW-MKJCRNHGSA-N	-4	3	326.261	-0.674	1	30	biogenic,in-vitro	EBEFHL
C[C@H](Cn1cnc2cnc(NC(=N)N)nc21)OCP(=O)([O-])[O-]	ZINC000029123779	202182264	/nfs/dbraw/zinc/18/22/64/202182264.db2.gz	VNVCCSZVRKXCAX-ZCFIWIBFSA-N	-2	3	329.257	-0.729	1	30		EBEFHL
C[C@H](Cn1cnc2ncnc(NC(=N)N)c21)OCP(=O)([O-])[O-]	ZINC000029123649	202181457	/nfs/dbraw/zinc/18/14/57/202181457.db2.gz	USBXDYZHJNKAFO-ZCFIWIBFSA-N	-2	3	329.257	-0.729	1	30		EBEFHL
NC(=O)CC[C@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000001531221	571679902	/nfs/dbraw/zinc/67/99/02/571679902.db2.gz	PDBJJFJKNSKTSW-FCOLDMBHSA-N	-3	3	339.304	-0.883	1	30	endogenous,in-man	EBEFHL
NC(=O)CC[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829852	571747034	/nfs/dbraw/zinc/74/70/34/571747034.db2.gz	PDBJJFJKNSKTSW-RRHXRTGLSA-N	-3	3	339.304	-0.883	1	30	endogenous,in-man	EBEFHL
O=C([O-])CC[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829853	571747195	/nfs/dbraw/zinc/74/71/95/571747195.db2.gz	POYIZOSTYKKRNT-LGYDLNETSA-N	-4	3	340.288	-0.283	1	30	endogenous,in-man	EBEFHL
O=C([O-])CC[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000100400463	560052688	/nfs/dbraw/zinc/05/26/88/560052688.db2.gz	POYIZOSTYKKRNT-VOPPDXEQSA-N	-4	3	340.288	-0.283	1	30	biogenic,in-vitro	EBEFHL
NC(=O)CC[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829851	571747081	/nfs/dbraw/zinc/74/70/81/571747081.db2.gz	PDBJJFJKNSKTSW-SZPANMFOSA-N	-3	3	339.304	-0.883	1	30	endogenous,in-man	EBEFHL
O=C([O-])C(CCCCN([O-])C(=O)COP(=O)([O-])[O-])C(=O)[O-]	ZINC000073278830	216373198	/nfs/dbraw/zinc/37/31/98/216373198.db2.gz	IDNYLSSKTVUEOB-UHFFFAOYSA-N	-5	3	329.198	-0.731	1	30		EBEFHL
O=C([O-])C[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000103584108	560051506	/nfs/dbraw/zinc/05/15/06/560051506.db2.gz	YHGOPYILBIAFGW-GVWRZHQPSA-N	-4	3	326.261	-0.674	1	30	biogenic,in-vitro	EBEFHL
O=C([O-])C(CC(=O)N([O-])CCCCOP(=O)([O-])[O-])C(=O)[O-]	ZINC000073199941	216363436	/nfs/dbraw/zinc/36/34/36/216363436.db2.gz	WYJUBKJLQCPXCV-UHFFFAOYSA-N	-5	3	329.198	-0.731	1	30		EBEFHL
O=C([O-])C1=CC(=CC=N[C@@H](CCCO)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000103556572	560051613	/nfs/dbraw/zinc/05/16/13/560051613.db2.gz	RVPIQBBRHBAQKG-UNMJGMMOSA-N	-3	3	326.305	-0.376	1	30	biogenic,in-vitro	EBEFHL
O=C([O-])CC[C@H](N=CC=C1C=C(C(=O)[O-])N[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000001531223	571680094	/nfs/dbraw/zinc/68/00/94/571680094.db2.gz	POYIZOSTYKKRNT-SDAIQDLQSA-N	-4	3	340.288	-0.283	1	30	endogenous,in-man	EBEFHL
O=C([O-])CC[C@@H](N=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000033829854	571747111	/nfs/dbraw/zinc/74/71/11/571747111.db2.gz	POYIZOSTYKKRNT-ASXPTRQXSA-N	-4	3	340.288	-0.283	1	30	endogenous,in-man	EBEFHL
O=C([O-])CC[C@H](N=CC=C1C=C(C(=O)[O-])N[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000030726518	571742252	/nfs/dbraw/zinc/74/22/52/571742252.db2.gz	POYIZOSTYKKRNT-BUOYKSBGSA-N	-4	3	340.288	-0.283	1	30	endogenous,in-man	EBEFHL