smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)Cc1ccccc1[O-]	ZINC000001694544	383926082	/nfs/dbraw/zinc/92/60/82/383926082.db2.gz	ACCAACYZYKXIOZ-UHFFFAOYSA-N	0	1	235.371	3.794	40	10		BHCBMN
CCCCN(CCCC)c1ccc(N)cc1	ZINC000012419923	387027867	/nfs/dbraw/zinc/02/78/67/387027867.db2.gz	ARKYDGLMGXZGFC-UHFFFAOYSA-N	0	1	220.360	3.675	40	10		BHCBMN
c1ccc(N=Nc2n[nH]c3ccccc32)cc1	ZINC000018192647	183388013	/nfs/dbraw/zinc/38/80/13/183388013.db2.gz	WHOIBZORYNWAIY-JQIJEIRASA-N	0	1	222.251	3.978	40	10		BHCBMN
Cc1ccc2nccc(Nc3ccc(N)cc3)c2c1	ZINC000064875339	259313092	/nfs/dbraw/zinc/31/30/92/259313092.db2.gz	XELRWEGNWBQUBA-UHFFFAOYSA-N	0	1	249.317	3.869	40	10		BHCBMN
c1ccc(N=Nc2n[nH]c3ccccc32)cc1	ZINC000104149123	183388038	/nfs/dbraw/zinc/38/80/38/183388038.db2.gz	WHOIBZORYNWAIY-PEZBUJJGSA-N	0	1	222.251	3.978	40	10		BHCBMN
CCc1n[nH]c(-c2ccsc2)c1CN=[N+]=[N-]	ZINC000409439911	343853260	/nfs/dbraw/zinc/85/32/60/343853260.db2.gz	KTRHQELVHDSBNZ-UHFFFAOYSA-N	0	1	233.300	3.511	40	10		BHCBMN
CC(C)c1n[nH]c(C2CCC2)c1CN=[N+]=[N-]	ZINC000409441051	343855182	/nfs/dbraw/zinc/85/51/82/343855182.db2.gz	PPQHZWPKBARKGV-UHFFFAOYSA-N	0	1	219.292	3.611	40	10		BHCBMN
[N-]=[N+]=NCc1c(C2CC2)n[nH]c1C1CCCC1	ZINC000409441271	343855922	/nfs/dbraw/zinc/85/59/22/343855922.db2.gz	QMZVUNCGLGNPNC-UHFFFAOYSA-N	0	1	231.303	3.755	40	10		BHCBMN
CC(C)Cc1n[nH]c(C(C)C)c1CN=[N+]=[N-]	ZINC000409441286	343855959	/nfs/dbraw/zinc/85/59/59/343855959.db2.gz	QQTWRIOTTOQSRC-UHFFFAOYSA-N	0	1	221.308	3.542	40	10		BHCBMN
CC(C)Cc1n[nH]c(C2CCC2)c1CN=[N+]=[N-]	ZINC000409441569	343859635	/nfs/dbraw/zinc/85/96/35/343859635.db2.gz	RUKQFPNUBMKORJ-UHFFFAOYSA-N	0	1	233.319	3.686	40	10		BHCBMN