smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(OC)cc2)cc1	ZINC000018061274	523438201	/nfs/dbraw/zinc/43/82/01/523438201.db2.gz	SFJWQGWNZNTHEP-GJHDBBOXSA-N	2	0	352.478	4.802	50	30		FJEARP
COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013381831	206301158	/nfs/dbraw/zinc/30/11/58/206301158.db2.gz	XQZVHESVZCKBJB-GDPGSFABSA-N	2	0	364.533	4.802	50	30		FJEARP
CS/C(=[NH+]\CCC[N+](C)(C)C)N(Cc1ccccc1)Cc1ccccc1	ZINC000005881485	525285796	/nfs/dbraw/zinc/28/57/96/525285796.db2.gz	MXPAGJQEKIDBGK-FCQUAONHSA-N	2	0	370.586	4.504	50	30		FJEARP
CS/C(=[NH+]/CCC[N+](C)(C)C)N(Cc1ccccc1)Cc1ccccc1	ZINC000367895573	571160352	/nfs/dbraw/zinc/16/03/52/571160352.db2.gz	MXPAGJQEKIDBGK-GHVJWSGMSA-N	2	0	370.586	4.504	50	30		FJEARP
COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000033927958	570633922	/nfs/dbraw/zinc/63/39/22/570633922.db2.gz	XQZVHESVZCKBJB-DGDORRRTSA-N	2	0	364.533	4.802	50	30		FJEARP
CC(C)[NH+](CC#Cc1ccc(C#CC[NH+](C(C)C)C(C)C)cc1)C(C)C	ZINC000002478830	210150387	/nfs/dbraw/zinc/15/03/87/210150387.db2.gz	CHXZVKNCKKCWTQ-UHFFFAOYSA-N	2	0	352.566	4.627	50	30		FJEARP
COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013381833	206301296	/nfs/dbraw/zinc/30/12/96/206301296.db2.gz	XQZVHESVZCKBJB-FUIYNFKPSA-N	2	0	364.533	4.802	50	30		FJEARP
COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000033927957	220753893	/nfs/dbraw/zinc/75/38/93/220753893.db2.gz	XQZVHESVZCKBJB-WDNWICHASA-N	2	0	364.533	4.802	50	30		FJEARP
CCCCCCCCOCn1c2ccccc2n(CC[NH+](CC)CC)c1=[NH2+]	ZINC000033353168	208088793	/nfs/dbraw/zinc/08/87/93/208088793.db2.gz	BLDBXWFHQLUNLG-UHFFFAOYSA-N	2	0	374.573	4.599	50	30		FJEARP
CCCCCCCC[NH2+]CCOCCOCC[NH2+]CCCCCCCC	ZINC000100923860	222258463	/nfs/dbraw/zinc/25/84/63/222258463.db2.gz	ZQAYBBPXBMNMBD-UHFFFAOYSA-N	2	0	372.638	4.920	50	30		FJEARP