smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917079	785068757	/nfs/dbraw/zinc/06/87/57/785068757.db2.gz	MXQBOECOOSLTBE-SJORKVTESA-N	2	3	330.520	2.434	10	10		EECEHP
N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917539	785068537	/nfs/dbraw/zinc/06/85/37/785068537.db2.gz	RIGUKLZPOWWTLQ-VQTJNVASSA-N	2	3	328.504	2.188	10	10		EECEHP
N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917537	785069106	/nfs/dbraw/zinc/06/91/06/785069106.db2.gz	RIGUKLZPOWWTLQ-UXHICEINSA-N	2	3	328.504	2.188	10	10		EECEHP
N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917536	785068935	/nfs/dbraw/zinc/06/89/35/785068935.db2.gz	RIGUKLZPOWWTLQ-PMACEKPBSA-N	2	3	328.504	2.188	10	10		EECEHP
N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917541	785068277	/nfs/dbraw/zinc/06/82/77/785068277.db2.gz	RIGUKLZPOWWTLQ-WOJBJXKFSA-N	2	3	328.504	2.188	10	10		EECEHP
C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917077	785068995	/nfs/dbraw/zinc/06/89/95/785068995.db2.gz	MXQBOECOOSLTBE-IAGOWNOFSA-N	2	3	330.520	2.434	10	10		EECEHP
C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917078	785068476	/nfs/dbraw/zinc/06/84/76/785068476.db2.gz	MXQBOECOOSLTBE-IRXDYDNUSA-N	2	3	330.520	2.434	10	10		EECEHP
C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817917076	785069154	/nfs/dbraw/zinc/06/91/54/785069154.db2.gz	MXQBOECOOSLTBE-DLBZAZTESA-N	2	3	330.520	2.434	10	10		EECEHP