smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC(=O)N1CCOCCOCCN(C(=O)C[NH3+])CCOCCOCC1	ZINC000004936615	204093850	/nfs/dbraw/zinc/09/38/50/204093850.db2.gz	JITVAMRWDROXRZ-UHFFFAOYSA-N	2	0	376.454	-2.359	50	0		GAAARP
OCC[NH+]1CCOCCOCCOCC[N@@H+](CCO)CCOCCOCC1	ZINC000004955672	570381816	/nfs/dbraw/zinc/38/18/16/570381816.db2.gz	CGSNOSZWDYWUAQ-UHFFFAOYSA-N	2	0	394.509	-1.328	50	0		GAAARP
C[NH+]1CCN(CCCN(CCC(=O)N2CC[NH2+]CC2)S(C)(=O)=O)CC1	ZINC000045945039	205100244	/nfs/dbraw/zinc/10/02/44/205100244.db2.gz	QRJMVEJNPTUJHR-UHFFFAOYSA-N	2	0	375.539	-1.293	50	0		GAAARP
C[C@H](O)CN(CC[NH+](C[C@H](C)O)C[C@H](C)O)CC[NH+](C[C@H](C)O)C[C@H](C)O	ZINC000100958508	570255230	/nfs/dbraw/zinc/25/52/30/570255230.db2.gz	LWMWZNOCSCPBCH-VMXHOPILSA-N	2	0	393.569	-1.204	50	0		GAAARP
C[C@@H](O)C[N@@H+](CCN(CC[NH+](C[C@H](C)O)C[C@H](C)O)C[C@H](C)O)C[C@H](C)O	ZINC000100958515	570279773	/nfs/dbraw/zinc/27/97/73/570279773.db2.gz	LWMWZNOCSCPBCH-VPAKFMSCSA-N	2	0	393.569	-1.204	50	0		GAAARP
C[C@@H](O)C[NH+](CCN(CC[N@H+](C[C@@H](C)O)C[C@H](C)O)C[C@H](C)O)C[C@H](C)O	ZINC000105151538	533654814	/nfs/dbraw/zinc/65/48/14/533654814.db2.gz	LWMWZNOCSCPBCH-QXCZDIPSSA-N	2	0	393.569	-1.204	50	0		GAAARP
C[C@@H](O)C[NH+](CCN(CC[NH+](C[C@H](C)O)C[C@H](C)O)C[C@H](C)O)C[C@@H](C)O	ZINC000105151542	570304230	/nfs/dbraw/zinc/30/42/30/570304230.db2.gz	LWMWZNOCSCPBCH-LTFXXXRZSA-N	2	0	393.569	-1.204	50	0		GAAARP