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+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@H](C)C2)CC1	ZINC000004553808	181123552	/nfs/dbraw/zinc/12/35/52/181123552.db2.gz	NXXMIBBWTUIWRO-GHTZIAJQSA-N	1	3	314.517	4.552	50	0		DJAAHO
CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@H](C)C2)CC1	ZINC000004553808	181123555	/nfs/dbraw/zinc/12/35/55/181123555.db2.gz	NXXMIBBWTUIWRO-GHTZIAJQSA-N	1	3	314.517	4.552	50	0		DJAAHO
CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@@H](C)C2)CC1	ZINC000019868458	182158478	/nfs/dbraw/zinc/15/84/78/182158478.db2.gz	NXXMIBBWTUIWRO-NQIIRXRSSA-N	1	3	314.517	4.552	50	0		DJAAHO
CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@@H](C)C2)CC1	ZINC000019868458	182158480	/nfs/dbraw/zinc/15/84/80/182158480.db2.gz	NXXMIBBWTUIWRO-NQIIRXRSSA-N	1	3	314.517	4.552	50	0		DJAAHO
CC[N@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@@H](C)C2)CC1	ZINC000014010817	563393880	/nfs/dbraw/zinc/39/38/80/563393880.db2.gz	NXXMIBBWTUIWRO-WIYYLYMNSA-N	1	3	314.517	4.552	50	0		DJAAHO
CC[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CCC[C@@H](C)C2)CC1	ZINC000014010817	563393883	/nfs/dbraw/zinc/39/38/83/563393883.db2.gz	NXXMIBBWTUIWRO-WIYYLYMNSA-N	1	3	314.517	4.552	50	0		DJAAHO
CC(C)c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000010435334	563959108	/nfs/dbraw/zinc/95/91/08/563959108.db2.gz	LFUUNTKBLRLJBZ-UHFFFAOYSA-N	1	3	322.496	4.564	50	0		DJAAHO
CC[N@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@H](C)C2)CC1	ZINC000004553809	181124012	/nfs/dbraw/zinc/12/40/12/181124012.db2.gz	NXXMIBBWTUIWRO-RXVVDRJESA-N	1	3	314.517	4.552	50	0		DJAAHO
CC[N@@H+](Cc1ccccc1)C1CCN([C@H]2CCC[C@H](C)C2)CC1	ZINC000004553809	181124013	/nfs/dbraw/zinc/12/40/13/181124013.db2.gz	NXXMIBBWTUIWRO-RXVVDRJESA-N	1	3	314.517	4.552	50	0		DJAAHO