smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1O	ZINC000095509606	559083629	/nfs/dbraw/zinc/08/36/29/559083629.db2.gz	QVBMTWUONYBQMR-OAQYLSRUSA-N	2	0	405.583	2.532	50	10		HFCARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000012589000	568867707	/nfs/dbraw/zinc/86/77/07/568867707.db2.gz	WZNQRXCOYCJZEQ-HXUWFJFHSA-N	2	0	403.567	2.994	50	10		HFCARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000012589006	568867610	/nfs/dbraw/zinc/86/76/10/568867610.db2.gz	WZNQRXCOYCJZEQ-FQEVSTJZSA-N	2	0	403.567	2.994	50	10		HFCARP
CCOc1cccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1O	ZINC000022925941	558523246	/nfs/dbraw/zinc/52/32/46/558523246.db2.gz	QVBMTWUONYBQMR-NRFANRHFSA-N	2	0	405.583	2.532	50	10		HFCARP
C[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1	ZINC000067601932	558987680	/nfs/dbraw/zinc/98/76/80/558987680.db2.gz	KDGLNKUPYKYEPD-UHFFFAOYSA-N	2	0	406.574	2.967	50	10		HFCARP
COc1ccc(N2CCC([NH+]3CCC(CCC(=O)NCC[NH+](C)C)CC3)CC2)cc1	ZINC000012435867	536669190	/nfs/dbraw/zinc/66/91/90/536669190.db2.gz	OBZIDXAZEYBZGE-UHFFFAOYSA-N	2	0	416.610	2.834	50	10		HFCARP