smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCCC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826029835	607964704	/nfs/dbraw/zinc/96/47/04/607964704.db2.gz	XTBPEBMFHCRTLK-UHFFFAOYSA-N	0	3	343.391	0.833	20	50		ECGDHN
C[N@H+]1CCCC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1	ZINC000826029835	607964705	/nfs/dbraw/zinc/96/47/05/607964705.db2.gz	XTBPEBMFHCRTLK-UHFFFAOYSA-N	0	3	343.391	0.833	20	50		ECGDHN
CC(C(=O)NNC(=O)c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000105966217	589165367	/nfs/dbraw/zinc/16/53/67/589165367.db2.gz	HUFLHWQUQUGPDK-SSDOTTSWSA-N	0	3	338.307	0.900	20	50		ECGDHN
C[N@@H+]1CCCC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)CC1	ZINC000826029750	607964892	/nfs/dbraw/zinc/96/48/92/607964892.db2.gz	VVCBQAQYCQVNPS-UHFFFAOYSA-N	0	3	343.391	0.833	20	50		ECGDHN
C[N@H+]1CCCC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)CC1	ZINC000826029750	607964893	/nfs/dbraw/zinc/96/48/93/607964893.db2.gz	VVCBQAQYCQVNPS-UHFFFAOYSA-N	0	3	343.391	0.833	20	50		ECGDHN
C[N@@H+]1CCCC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)CC1	ZINC000826029750	607964894	/nfs/dbraw/zinc/96/48/94/607964894.db2.gz	VVCBQAQYCQVNPS-UHFFFAOYSA-N	0	3	343.391	0.833	20	50		ECGDHN
C[N@H+]1CCCC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)CC1	ZINC000826029750	607964895	/nfs/dbraw/zinc/96/48/95/607964895.db2.gz	VVCBQAQYCQVNPS-UHFFFAOYSA-N	0	3	343.391	0.833	20	50		ECGDHN
CC(C(=O)NNC(=O)c1cccc(C(F)(F)F)c1)S(C)(=O)=O	ZINC000105966212	589165303	/nfs/dbraw/zinc/16/53/03/589165303.db2.gz	HUFLHWQUQUGPDK-ZETCQYMHSA-N	0	3	338.307	0.900	20	50		ECGDHN
C#CCN1CCC(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823850045	607344899	/nfs/dbraw/zinc/34/48/99/607344899.db2.gz	JAOOIUQAYPLMQB-UHFFFAOYSA-N	0	3	325.376	0.655	20	50		ECGDHN