smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])c4scc5n4c3c2N(C)C5)CCN1	ZINC000003782309	132268898	/nfs/dbraw/zinc/26/88/98/132268898.db2.gz	LGYHKAUJYVYBIG-VIFPVBQESA-N	-1	3	402.451	2.099	1	0		HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681003	571718824	/nfs/dbraw/zinc/71/88/24/571718824.db2.gz	SWVWDNGFQHDELB-ATKPUVBQSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM
C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CCN1	ZINC000026469742	132227348	/nfs/dbraw/zinc/22/73/48/132227348.db2.gz	LZLPFPCKKKILRV-SNVBAGLBSA-N	-1	3	418.375	2.299	1	0		HEAFHM
Cc1cc(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1[O-]	ZINC000014680834	571718800	/nfs/dbraw/zinc/71/88/00/571718800.db2.gz	XAJFXYLALLZDAD-IBYCKKEJSA-N	-1	3	420.502	2.108	1	0	endogenous,in-man	HEAFHM
O=C(CCCn1c2ccc(O)cc2c2c1ccc1c2C(=O)[N-]C1=O)N1CCOCC1	ZINC000042888640	581098162	/nfs/dbraw/zinc/09/81/62/581098162.db2.gz	IEMAPJFWPQVOQO-UHFFFAOYSA-N	-1	3	407.426	2.023	1	0		HEAFHM
Nc1c2ccccc2[nH]c(=O)c1-c1nc2ccc(OCCN3CCOCC3)cc2[n-]1	ZINC000040424395	581100662	/nfs/dbraw/zinc/10/06/62/581100662.db2.gz	MVKVCQNFFRDQDJ-UHFFFAOYSA-N	-1	3	405.458	2.365	1	0		HEAFHM
Nc1c2ccccc2[nH]c(=O)c1-c1nc2cc(OCCN3CCOCC3)ccc2[n-]1	ZINC000040424395	581100663	/nfs/dbraw/zinc/10/06/63/581100663.db2.gz	MVKVCQNFFRDQDJ-UHFFFAOYSA-N	-1	3	405.458	2.365	1	0		HEAFHM
Cc1cc(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1[O-]	ZINC000014680831	571718763	/nfs/dbraw/zinc/71/87/63/571718763.db2.gz	XAJFXYLALLZDAD-FWSCEXCJSA-N	-1	3	420.502	2.108	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681077	571719381	/nfs/dbraw/zinc/71/93/81/571719381.db2.gz	ABFOJGYAILKEJB-XJMQMAFPSA-N	-1	3	418.486	2.172	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681001	571718815	/nfs/dbraw/zinc/71/88/15/571718815.db2.gz	SWVWDNGFQHDELB-BBIIYDPRSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM
C[C@@H](c1ccc(-c2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	ZINC000014948249	581095255	/nfs/dbraw/zinc/09/52/55/581095255.db2.gz	GVJGHGLMXNSVJN-AGRHKRQWSA-N	-1	3	409.465	2.433	1	0		HEAFHM
Cc1cc(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1[O-]	ZINC000014680833	571718862	/nfs/dbraw/zinc/71/88/62/571718862.db2.gz	XAJFXYLALLZDAD-KNVZDSEASA-N	-1	3	420.502	2.108	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681075	571719321	/nfs/dbraw/zinc/71/93/21/571719321.db2.gz	ABFOJGYAILKEJB-YUXJCULASA-N	-1	3	418.486	2.172	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)OCC1=C[C@H]2CC(C)(C)[C@@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681028	574413595	/nfs/dbraw/zinc/41/35/95/574413595.db2.gz	OEBGQVIRXPDBGY-SGUVSZDBSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681027	574413605	/nfs/dbraw/zinc/41/36/05/574413605.db2.gz	OEBGQVIRXPDBGY-BYCGNBQDSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681071	571719266	/nfs/dbraw/zinc/71/92/66/571719266.db2.gz	ABFOJGYAILKEJB-OECWEMKESA-N	-1	3	418.486	2.172	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681004	571718886	/nfs/dbraw/zinc/71/88/86/571718886.db2.gz	SWVWDNGFQHDELB-GCTIBOKJSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM
C[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CCN1	ZINC000026470224	132227300	/nfs/dbraw/zinc/22/73/00/132227300.db2.gz	BONOVMVFLNIRBP-NSHDSACASA-N	-1	3	400.385	2.160	1	0		HEAFHM
Nc1c(F)c(N2C[C@H]3CCC[C@@H]2CN3)c(F)c2c1c(=O)c(C(=O)[O-])cn2C1CC1	ZINC000009133372	132336283	/nfs/dbraw/zinc/33/62/83/132336283.db2.gz	WLLKZZRCODLHLO-MWLCHTKSSA-N	-1	3	404.417	2.226	1	0		HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@H]3C=C(CO)[C@@]12O	ZINC000014681000	571718664	/nfs/dbraw/zinc/71/86/64/571718664.db2.gz	SWVWDNGFQHDELB-UUFPFFJJSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM
Cc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1[O-]	ZINC000014680829	571718770	/nfs/dbraw/zinc/71/87/70/571718770.db2.gz	XAJFXYLALLZDAD-BBROGYMFSA-N	-1	3	420.502	2.108	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@@]12O	ZINC000014681073	571719204	/nfs/dbraw/zinc/71/92/04/571719204.db2.gz	ABFOJGYAILKEJB-XWPMNIEDSA-N	-1	3	418.486	2.172	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681030	574413588	/nfs/dbraw/zinc/41/35/88/574413588.db2.gz	OEBGQVIRXPDBGY-METLCYJQSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM
Cc1cc([O-])cc(O)c1C(=O)OCC1=C[C@H]2CC(C)(C)[C@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O	ZINC000014681032	574413586	/nfs/dbraw/zinc/41/35/86/574413586.db2.gz	OEBGQVIRXPDBGY-YTQCBVFWSA-N	-1	3	418.486	2.028	1	0	endogenous,in-man	HEAFHM