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-])C1=C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000013382475	290954621	/nfs/dbraw/zinc/95/46/21/290954621.db2.gz	QMPHZIPNNJOWQI-VKJPNVGWSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CC[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000026956342	202150793	/nfs/dbraw/zinc/15/07/93/202150793.db2.gz	BCFAOZSYFUNSAJ-IWSPIJDZSA-N	-1	0	345.252	0.379	1	10		ECCFRM
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](C=C[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000026957234	202150521	/nfs/dbraw/zinc/15/05/21/202150521.db2.gz	ZFOXDVZPHQPFDB-NSVNRLROSA-N	-1	0	343.236	0.503	1	10		ECCFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	ZINC000104033799	204093500	/nfs/dbraw/zinc/09/35/00/204093500.db2.gz	SFWRNQLOTDZVRJ-UHFFFAOYSA-N	-1	0	328.353	0.388	3	10		ECCFRM
O=C([O-])C1=C[C@H](O)[C@@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000014919088	571726894	/nfs/dbraw/zinc/72/68/94/571726894.db2.gz	QMPHZIPNNJOWQI-KEAYRXEWSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM
O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000013523633	571702733	/nfs/dbraw/zinc/70/27/33/571702733.db2.gz	QMPHZIPNNJOWQI-QSFPHMASSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM
O=C([O-])[C@H](Cc1c[nH]cn1)NC=C1C(=O)NN=C1c1ccccc1	ZINC000072177662	216065793	/nfs/dbraw/zinc/06/57/93/216065793.db2.gz	VBIZSOSXLVKQRQ-FSBNRTBOSA-N	-1	0	325.328	0.413	1	10		ECCFRM
O=C([O-])C1=C[C@H](O)[C@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000013382463	574413226	/nfs/dbraw/zinc/41/32/26/574413226.db2.gz	QMPHZIPNNJOWQI-NFSDKPIQSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM
O=C([O-])C1=C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000013382465	574413231	/nfs/dbraw/zinc/41/32/31/574413231.db2.gz	QMPHZIPNNJOWQI-NBMPGQSTSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM
O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000014919086	571727032	/nfs/dbraw/zinc/72/70/32/571727032.db2.gz	QMPHZIPNNJOWQI-RYNFYGOPSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000102494640	219207982	/nfs/dbraw/zinc/20/79/82/219207982.db2.gz	GFLQGDFQSKXCKU-IRUFBXEESA-N	-1	0	340.390	0.248	1	10		ECCFRM
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CC[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000026956350	202149944	/nfs/dbraw/zinc/14/99/44/202149944.db2.gz	BCFAOZSYFUNSAJ-YIZRAAEISA-N	-1	0	345.252	0.379	1	10		ECCFRM
O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000014919098	560098406	/nfs/dbraw/zinc/09/84/06/560098406.db2.gz	QMPHZIPNNJOWQI-UXHORKNWSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000102494645	204040575	/nfs/dbraw/zinc/04/05/75/204040575.db2.gz	GFLQGDFQSKXCKU-FZPGPQOYSA-N	-1	0	340.390	0.248	1	10		ECCFRM
O=C([O-])CNC(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O	ZINC000103243254	219274591	/nfs/dbraw/zinc/27/45/91/219274591.db2.gz	OIPNRCYPAOGXOQ-UHFFFAOYSA-N	-1	0	325.276	0.982	1	10		ECCFRM
O=C([O-])C1=C[C@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000014919084	571726960	/nfs/dbraw/zinc/72/69/60/571726960.db2.gz	QMPHZIPNNJOWQI-UDUSSJJVSA-N	-1	0	336.296	0.159	1	10	endogenous,in-man	ECCFRM