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)CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C(N)=O	ZINC000005114517	212146095	/nfs/dbraw/zinc/14/60/95/212146095.db2.gz	ZEQAPQNFHVYDEL-SGMGOOAPSA-N	1	2	390.444	-1.172	1	0	investigational	GAAFLO
CC1(C)CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCC(=O)N2)[C@@H]1C(N)=O	ZINC000005114517	212146091	/nfs/dbraw/zinc/14/60/91/212146091.db2.gz	ZEQAPQNFHVYDEL-SGMGOOAPSA-N	1	2	390.444	-1.172	1	0	investigational	GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005762965	209232249	/nfs/dbraw/zinc/23/22/49/209232249.db2.gz	QXIRQEYFDVIBTN-XQQFMLRXSA-N	1	2	376.417	-1.547	1	0		GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005762965	209232246	/nfs/dbraw/zinc/23/22/46/209232246.db2.gz	QXIRQEYFDVIBTN-XQQFMLRXSA-N	1	2	376.417	-1.547	1	0		GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005762968	209231010	/nfs/dbraw/zinc/23/10/10/209231010.db2.gz	QXIRQEYFDVIBTN-AVGNSLFASA-N	1	2	376.417	-1.547	1	0		GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005762968	209231007	/nfs/dbraw/zinc/23/10/07/209231007.db2.gz	QXIRQEYFDVIBTN-AVGNSLFASA-N	1	2	376.417	-1.547	1	0		GAAFLO
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)C[NH3+])cc2)s1	ZINC000013800456	221289498	/nfs/dbraw/zinc/28/94/98/221289498.db2.gz	MIWUDGNQEWPLJX-UHFFFAOYSA-N	1	2	392.444	-1.117	1	0		GAAFLO
[NH2+]=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)[O-])N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000014691900	291092624	/nfs/dbraw/zinc/09/26/24/291092624.db2.gz	ALRRPAKWGUBPBK-PVJDKPRJSA-N	1	2	395.354	-3.897	1	0	endogenous,in-man	GAAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCC(=O)N1	ZINC000027751591	212157536	/nfs/dbraw/zinc/15/75/36/212157536.db2.gz	HZXIUHDRJSZYDO-AVGNSLFASA-N	1	2	376.417	-1.418	1	0		GAAFLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCC(=O)N1	ZINC000027751591	212157532	/nfs/dbraw/zinc/15/75/32/212157532.db2.gz	HZXIUHDRJSZYDO-AVGNSLFASA-N	1	2	376.417	-1.418	1	0		GAAFLO
NC(=O)[C@@H]1CSCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCC(=O)N1	ZINC000027758805	209243686	/nfs/dbraw/zinc/24/36/86/209243686.db2.gz	OGUDACTYCTVDNZ-SRVKXCTJSA-N	1	2	394.457	-1.508	1	0		GAAFLO
NC(=O)[C@@H]1CSCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCC(=O)N1	ZINC000027758805	209243682	/nfs/dbraw/zinc/24/36/82/209243682.db2.gz	OGUDACTYCTVDNZ-SRVKXCTJSA-N	1	2	394.457	-1.508	1	0		GAAFLO
[NH3+]CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)[O-])CC1	ZINC000072108936	205305902	/nfs/dbraw/zinc/30/59/02/205305902.db2.gz	DFSYZEQNVXXSKV-TUAOUCFPSA-N	1	2	375.451	-1.403	1	0		GAAFLO
[NH3+]CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)[O-])CC1	ZINC000072108936	205305897	/nfs/dbraw/zinc/30/58/97/205305897.db2.gz	DFSYZEQNVXXSKV-TUAOUCFPSA-N	1	2	375.451	-1.403	1	0		GAAFLO
NC(=O)c1c2c(nc[nH+]c2N)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1-c1ccco1	ZINC000073160875	211124591	/nfs/dbraw/zinc/12/45/91/211124591.db2.gz	BKBCMMMDTSVLLF-BFUWWNBMSA-N	1	2	375.341	-1.016	1	0		GAAFLO
Nc1[nH+]cnc2c1c(I)nn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000073352366	222271545	/nfs/dbraw/zinc/27/15/45/222271545.db2.gz	BZFGDXJGWSIYQP-GUUBJREHSA-N	1	2	393.141	-1.375	1	0		GAAFLO
Nc1[nH+]cnc2c1c(I)nn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000073352369	222270518	/nfs/dbraw/zinc/27/05/18/222270518.db2.gz	BZFGDXJGWSIYQP-FCAPAMKTSA-N	1	2	393.141	-1.375	1	0		GAAFLO
[NH2+]=C1N[C@@H]2[C@@H](COC(=O)NS(=O)(=O)[O-])N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000085847752	291092645	/nfs/dbraw/zinc/09/26/45/291092645.db2.gz	ALRRPAKWGUBPBK-FJNYAOGASA-N	1	2	395.354	-3.897	1	0	endogenous,in-man	GAAFLO
[NH2+]=C1N[C@@H]2[C@H](COC(=O)NS(=O)(=O)[O-])NC(=[NH2+])N3CCC(O)(O)[C@]23N1	ZINC000090636267	291092687	/nfs/dbraw/zinc/09/26/87/291092687.db2.gz	JKKCSFJSULZNDN-LYAQYDMKSA-N	1	2	379.355	-4.418	1	0	endogenous,in-man	GAAFLO
[NH2+]=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)[O-])NC(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000100257126	291092585	/nfs/dbraw/zinc/09/25/85/291092585.db2.gz	JKKCSFJSULZNDN-PVJDKPRJSA-N	1	2	379.355	-3.999	1	0	endogenous,in-man	GAAFLO
[NH2+]=C1N[C@@H]2[C@H](COC(=O)NS(=O)(=O)[O-])NC(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000104939266	560050646	/nfs/dbraw/zinc/05/06/46/560050646.db2.gz	JKKCSFJSULZNDN-LBACSGLVSA-N	1	2	379.355	-4.418	1	0	endogenous,in-man	GAAFLO
[NH2+]=C1N[C@@H]2[C@H](COC(=O)NS(=O)(=O)[O-])N(O)C(=[NH2+])N3CCC(O)(O)[C@@]23N1	ZINC000196380560	560044534	/nfs/dbraw/zinc/04/45/34/560044534.db2.gz	ALRRPAKWGUBPBK-LBACSGLVSA-N	1	2	395.354	-4.107	1	0	endogenous,in-man	GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000255998197	209222053	/nfs/dbraw/zinc/22/20/53/209222053.db2.gz	QXIRQEYFDVIBTN-AGIUHOORSA-N	1	2	376.417	-1.547	1	0		GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000255998197	209222048	/nfs/dbraw/zinc/22/20/48/209222048.db2.gz	QXIRQEYFDVIBTN-AGIUHOORSA-N	1	2	376.417	-1.547	1	0		GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000255998198	206285476	/nfs/dbraw/zinc/28/54/76/206285476.db2.gz	QXIRQEYFDVIBTN-UPJWGTAASA-N	1	2	376.417	-1.547	1	0		GAAFLO
CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000255998198	206285472	/nfs/dbraw/zinc/28/54/72/206285472.db2.gz	QXIRQEYFDVIBTN-UPJWGTAASA-N	1	2	376.417	-1.547	1	0		GAAFLO