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+](C)CC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216813330	568467995	/nfs/dbraw/zinc/46/79/95/568467995.db2.gz	MDRIIUBUGKPUCZ-GOSISDBHSA-N	2	1	401.555	1.353	50	70		HDIAMP
CC[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216813330	568467996	/nfs/dbraw/zinc/46/79/96/568467996.db2.gz	MDRIIUBUGKPUCZ-GOSISDBHSA-N	2	1	401.555	1.353	50	70		HDIAMP
CC[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216813330	568467997	/nfs/dbraw/zinc/46/79/97/568467997.db2.gz	MDRIIUBUGKPUCZ-GOSISDBHSA-N	2	1	401.555	1.353	50	70		HDIAMP
CC(C)[N@@H+](C)CC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216794538	568467717	/nfs/dbraw/zinc/46/77/17/568467717.db2.gz	NTTSFIPXKPZZBP-LJQANCHMSA-N	2	1	415.582	1.741	50	70		HDIAMP
CC(C)[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216794538	568467719	/nfs/dbraw/zinc/46/77/19/568467719.db2.gz	NTTSFIPXKPZZBP-LJQANCHMSA-N	2	1	415.582	1.741	50	70		HDIAMP
CC(C)[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	ZINC000216794538	568467721	/nfs/dbraw/zinc/46/77/21/568467721.db2.gz	NTTSFIPXKPZZBP-LJQANCHMSA-N	2	1	415.582	1.741	50	70		HDIAMP