smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(C#CCCO)cc2)C[C@@]1(C)CO	ZINC000055091206	521730293	/nfs/dbraw/zinc/73/02/93/521730293.db2.gz	VEOCVZFBWDDNDO-AFESJLNVSA-N	2	1	441.015	3.998	50	30		IHEAMP
CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(C#CCCO)cc2)C[C@@]1(C)CO	ZINC000055091206	521730294	/nfs/dbraw/zinc/73/02/94/521730294.db2.gz	VEOCVZFBWDDNDO-AFESJLNVSA-N	2	1	441.015	3.998	50	30		IHEAMP
COCC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000014980956	568827621	/nfs/dbraw/zinc/82/76/21/568827621.db2.gz	NPNDCWXUVVVIFG-AREMUKBSSA-N	2	1	446.635	3.748	50	30		IHEAMP
COCC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000014980956	568827622	/nfs/dbraw/zinc/82/76/22/568827622.db2.gz	NPNDCWXUVVVIFG-AREMUKBSSA-N	2	1	446.635	3.748	50	30		IHEAMP
COCC[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000014980956	568827623	/nfs/dbraw/zinc/82/76/23/568827623.db2.gz	NPNDCWXUVVVIFG-AREMUKBSSA-N	2	1	446.635	3.748	50	30		IHEAMP
COCC[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000014980956	568827624	/nfs/dbraw/zinc/82/76/24/568827624.db2.gz	NPNDCWXUVVVIFG-AREMUKBSSA-N	2	1	446.635	3.748	50	30		IHEAMP
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H]3O[C@@]312	ZINC000008738320	569472705	/nfs/dbraw/zinc/47/27/05/569472705.db2.gz	XGQWRBZNQZVZFX-JMRSBHDGSA-N	2	1	438.612	3.766	50	30	biogenic	IHEAMP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1	ZINC000012387061	518687989	/nfs/dbraw/zinc/68/79/89/518687989.db2.gz	OXNAQDOJOZDSST-HSZRJFAPSA-N	2	1	446.632	3.672	50	30		IHEAMP
CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cc(C#CCO)cs2)C[C@@]1(C)CO	ZINC000096835291	568793178	/nfs/dbraw/zinc/79/31/78/568793178.db2.gz	OKQCSMCIFVFMKB-OIBXWCBGSA-N	2	1	433.017	3.669	50	30		IHEAMP
CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cc(C#CCO)cs2)C[C@@]1(C)CO	ZINC000096835291	568793179	/nfs/dbraw/zinc/79/31/79/568793179.db2.gz	OKQCSMCIFVFMKB-OIBXWCBGSA-N	2	1	433.017	3.669	50	30		IHEAMP
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312	ZINC000008738317	569472687	/nfs/dbraw/zinc/47/26/87/569472687.db2.gz	XGQWRBZNQZVZFX-WRMBYBKZSA-N	2	1	438.612	3.766	50	30	biogenic	IHEAMP
CCOc1ccc(C(=O)ONC(=[NH2+])c2ccc(C[NH+]3CCCCC3)cc2)cc1OCC	ZINC000004784787	557118961	/nfs/dbraw/zinc/11/89/61/557118961.db2.gz	FCPBKHHPDNMJMW-UHFFFAOYSA-N	2	1	425.529	3.947	50	30		IHEAMP
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1	ZINC000012387060	518688523	/nfs/dbraw/zinc/68/85/23/518688523.db2.gz	OXNAQDOJOZDSST-QHCPKHFHSA-N	2	1	446.632	3.672	50	30		IHEAMP
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000008790390	569476077	/nfs/dbraw/zinc/47/60/77/569476077.db2.gz	JVWNUKZYBNZUFV-KUGSLXLQSA-N	2	1	438.612	3.768	50	30	biogenic	IHEAMP
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C(=O)O[C@@H]1C2	ZINC000252694381	569210890	/nfs/dbraw/zinc/21/08/90/569210890.db2.gz	JVWNUKZYBNZUFV-CKBNKYMLSA-N	2	1	438.612	3.768	50	30	biogenic	IHEAMP
COCC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000014980954	568827676	/nfs/dbraw/zinc/82/76/76/568827676.db2.gz	NPNDCWXUVVVIFG-SANMLTNESA-N	2	1	446.635	3.748	50	30		IHEAMP
COCC[N@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1	ZINC000014980954	568827677	/nfs/dbraw/zinc/82/76/77/568827677.db2.gz	NPNDCWXUVVVIFG-SANMLTNESA-N	2	1	446.635	3.748	50	30		IHEAMP
COCC[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000014980954	568827679	/nfs/dbraw/zinc/82/76/79/568827679.db2.gz	NPNDCWXUVVVIFG-SANMLTNESA-N	2	1	446.635	3.748	50	30		IHEAMP
COCC[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1	ZINC000014980954	568827680	/nfs/dbraw/zinc/82/76/80/568827680.db2.gz	NPNDCWXUVVVIFG-SANMLTNESA-N	2	1	446.635	3.748	50	30		IHEAMP
C[NH+]1CCN([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2cccs2)CC1	ZINC000022912741	523917848	/nfs/dbraw/zinc/91/78/48/523917848.db2.gz	SNVVPHYTPRWJSX-QFIPXVFZSA-N	2	1	434.613	3.604	50	30		IHEAMP
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C(=O)O[C@@H]1C2	ZINC000252694382	569210931	/nfs/dbraw/zinc/21/09/31/569210931.db2.gz	JVWNUKZYBNZUFV-OHUMUTJISA-N	2	1	438.612	3.768	50	30	biogenic	IHEAMP
C[NH+]1CCN([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2cccs2)CC1	ZINC000022912744	523922294	/nfs/dbraw/zinc/92/22/94/523922294.db2.gz	SNVVPHYTPRWJSX-JOCHJYFZSA-N	2	1	434.613	3.604	50	30		IHEAMP
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000008790388	569476062	/nfs/dbraw/zinc/47/60/62/569476062.db2.gz	JVWNUKZYBNZUFV-YYDHDOSDSA-N	2	1	438.612	3.768	50	30	biogenic	IHEAMP