smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]C[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@@H]2[C@H]([NH3+])C[C@H](OC)[C@@H](N(C)C(=O)C[NH3+])[C@H]2O)O1	ZINC000005996401	212147592	/nfs/dbraw/zinc/14/75/92/212147592.db2.gz	NEFDRWXEVITQMN-MKRRRRENSA-N	4	0	389.497	-2.684	10	0	in-vitro	GAAERP
C[NH2+]C[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@H]2[C@H](O)[C@H](N(C)C(=O)C[NH3+])[C@@H](OC)C[C@@H]2[NH3+])O1	ZINC000005996403	560204207	/nfs/dbraw/zinc/20/42/07/560204207.db2.gz	NEFDRWXEVITQMN-JWYRXTSNSA-N	4	0	389.497	-2.684	10	0	in-vitro	GAAERP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000013541698	209235562	/nfs/dbraw/zinc/23/55/62/209235562.db2.gz	AFLBTVGQCQLOFJ-AVGNSLFASA-N	2	0	399.496	-1.734	10	0		GAAERP
[NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000015721923	570218240	/nfs/dbraw/zinc/21/82/40/570218240.db2.gz	QHGBBKBFAJZAHZ-RYUDHWBXSA-N	2	0	388.469	-2.627	10	0		GAAERP
C1CNCC[NH2+]CCCN[C@@H]([C@H]2C[NH2+]CCCNCC[NH2+]CCCN2)C[NH2+]C1	ZINC000022442910	212154005	/nfs/dbraw/zinc/15/40/05/212154005.db2.gz	UFKVRQZMUTURNC-WOJBJXKFSA-N	4	0	398.644	-1.972	10	0		GAAERP
O=C1CN(CC[NH2+]CCNCCNCC[NH2+]CCN2CC(=O)NC2=O)C(=O)N1	ZINC000031371433	206303780	/nfs/dbraw/zinc/30/37/80/206303780.db2.gz	WCHMXXBKHJJRID-UHFFFAOYSA-N	2	0	398.468	-3.552	10	0		GAAERP