smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@H+](C)C2	ZINC000252462859	563915278	/nfs/dbraw/zinc/91/52/78/563915278.db2.gz	WUIPOABWRCWMQU-XMMPIXPASA-N	2	1	319.472	4.664	50	5	biogenic	DJBAMP
CC(C)[N@@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@H+](C)C2	ZINC000247694611	563537069	/nfs/dbraw/zinc/53/70/69/563537069.db2.gz	YQHXJMWEQOYPRY-DEOSSOPVSA-N	2	1	319.472	4.663	50	5	biogenic	DJBAMP
C[N@H+](Cc1c2ccccc2cc2ccccc21)C1CC[NH+](C)CC1	ZINC000042465335	183273832	/nfs/dbraw/zinc/27/38/32/183273832.db2.gz	AIFAUFSFOBKZND-UHFFFAOYSA-N	2	1	318.464	4.519	50	5		DJBAMP
C[N@@H+](Cc1c2ccccc2cc2ccccc21)C1CC[NH+](C)CC1	ZINC000042465335	183273835	/nfs/dbraw/zinc/27/38/35/183273835.db2.gz	AIFAUFSFOBKZND-UHFFFAOYSA-N	2	1	318.464	4.519	50	5		DJBAMP
CCC[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@H+](C)C2	ZINC000252462858	563915361	/nfs/dbraw/zinc/91/53/61/563915361.db2.gz	WUIPOABWRCWMQU-DEOSSOPVSA-N	2	1	319.472	4.664	50	5	biogenic	DJBAMP
CC(C)[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CC[N@H+](C)C2	ZINC000247694612	563538114	/nfs/dbraw/zinc/53/81/14/563538114.db2.gz	YQHXJMWEQOYPRY-XMMPIXPASA-N	2	1	319.472	4.663	50	5	biogenic	DJBAMP