smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@@H+](C)CCCC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21	ZINC000252480488	564119188	/nfs/dbraw/zinc/11/91/88/564119188.db2.gz	CAYQTNJGWHMALT-GOSISDBHSA-N	2	0	343.559	4.934	20	0		EJADRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1	ZINC000019914877	212084078	/nfs/dbraw/zinc/08/40/78/212084078.db2.gz	TVACXNZOMVVSJG-HUUCEWRRSA-N	2	0	341.337	4.610	20	0		EJADRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1	ZINC000019914875	212084151	/nfs/dbraw/zinc/08/41/51/212084151.db2.gz	TVACXNZOMVVSJG-GJZGRUSLSA-N	2	0	341.337	4.610	20	0		EJADRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1	ZINC000019914873	212083638	/nfs/dbraw/zinc/08/36/38/212083638.db2.gz	TVACXNZOMVVSJG-CABCVRRESA-N	2	0	341.337	4.610	20	0		EJADRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1	ZINC000019914879	212083436	/nfs/dbraw/zinc/08/34/36/212083436.db2.gz	TVACXNZOMVVSJG-LSDHHAIUSA-N	2	0	341.337	4.610	20	0		EJADRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(Br)c1	ZINC000019914890	212083374	/nfs/dbraw/zinc/08/33/74/212083374.db2.gz	ZEVCBRAVCHKKAF-GJZGRUSLSA-N	2	0	341.337	4.610	20	0		EJADRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1	ZINC000019914894	212083456	/nfs/dbraw/zinc/08/34/56/212083456.db2.gz	ZEVCBRAVCHKKAF-LSDHHAIUSA-N	2	0	341.337	4.610	20	0		EJADRP
CC1(C)CC([NH2+]Cc2ccc(-c3ccccc3)s2)CC(C)(C)[NH2+]1	ZINC000008936592	211019721	/nfs/dbraw/zinc/01/97/21/211019721.db2.gz	WZYZKWMLYOEPCL-UHFFFAOYSA-N	2	0	328.525	4.814	20	0		EJADRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(Br)c1	ZINC000019914888	212084019	/nfs/dbraw/zinc/08/40/19/212084019.db2.gz	ZEVCBRAVCHKKAF-CABCVRRESA-N	2	0	341.337	4.610	20	0		EJADRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(Br)c1	ZINC000019914892	212083832	/nfs/dbraw/zinc/08/38/32/212083832.db2.gz	ZEVCBRAVCHKKAF-HUUCEWRRSA-N	2	0	341.337	4.610	20	0		EJADRP
CC[NH+](CC)CCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000248242879	564053116	/nfs/dbraw/zinc/05/31/16/564053116.db2.gz	HVRDPYCAMUBVDR-UHFFFAOYSA-N	2	0	349.522	4.511	20	0		EJADRP
CC(C)[N@@H+](C)CCCC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21	ZINC000252480489	564119191	/nfs/dbraw/zinc/11/91/91/564119191.db2.gz	CAYQTNJGWHMALT-SFHVURJKSA-N	2	0	343.559	4.934	20	0		EJADRP