smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(cc1OC)CN(/C=[NH+]/c1sc3c(c1C#N)CC(C)(C)[NH2+]C3(C)C)CC2	ZINC000001205131	555680257	/nfs/dbraw/zinc/68/02/57/555680257.db2.gz	BHPFUTZIFGNLOE-VULFUBBASA-N	2	2	438.597	4.514	50	30		IJEALP
OCCC#Cc1ccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)cc1	ZINC000011821044	568820879	/nfs/dbraw/zinc/82/08/79/568820879.db2.gz	UVSALJDSJMSZIW-NDEPHWFRSA-N	2	2	445.651	4.862	50	30		IJEALP
OCCC#Cc1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)cc1	ZINC000011821044	568820881	/nfs/dbraw/zinc/82/08/81/568820881.db2.gz	UVSALJDSJMSZIW-NDEPHWFRSA-N	2	2	445.651	4.862	50	30		IJEALP
OCCC#Cc1ccc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cc1	ZINC000011821044	568820882	/nfs/dbraw/zinc/82/08/82/568820882.db2.gz	UVSALJDSJMSZIW-NDEPHWFRSA-N	2	2	445.651	4.862	50	30		IJEALP
OCCC#Cc1ccc(C[NH+](Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000011821044	568820883	/nfs/dbraw/zinc/82/08/83/568820883.db2.gz	UVSALJDSJMSZIW-NDEPHWFRSA-N	2	2	445.651	4.862	50	30		IJEALP
OCCC#Cc1ccc(C[N@@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)cc1	ZINC000011821045	568820764	/nfs/dbraw/zinc/82/07/64/568820764.db2.gz	UVSALJDSJMSZIW-MUUNZHRXSA-N	2	2	445.651	4.862	50	30		IJEALP
OCCC#Cc1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)cc1	ZINC000011821045	568820765	/nfs/dbraw/zinc/82/07/65/568820765.db2.gz	UVSALJDSJMSZIW-MUUNZHRXSA-N	2	2	445.651	4.862	50	30		IJEALP
OCCC#Cc1ccc(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc1	ZINC000011821045	568820767	/nfs/dbraw/zinc/82/07/67/568820767.db2.gz	UVSALJDSJMSZIW-MUUNZHRXSA-N	2	2	445.651	4.862	50	30		IJEALP
OCCC#Cc1ccc(C[NH+](Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000011821045	568820769	/nfs/dbraw/zinc/82/07/69/568820769.db2.gz	UVSALJDSJMSZIW-MUUNZHRXSA-N	2	2	445.651	4.862	50	30		IJEALP