smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NNc1cc[nH+]cc1)c1ccc(-c2nnn[n-]2)s1	ZINC000826449560	609172645	/nfs/dbraw/zinc/17/26/45/609172645.db2.gz	YTPQWNVCFBIUTM-UHFFFAOYSA-N	0	3	287.308	0.502	20	50		CCGDHN
C[N@@H+]1CC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000826022790	607354011	/nfs/dbraw/zinc/35/40/11/607354011.db2.gz	RQUORDNTEPFZBI-SNVBAGLBSA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@H+]1CC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000826022790	607354013	/nfs/dbraw/zinc/35/40/13/607354013.db2.gz	RQUORDNTEPFZBI-SNVBAGLBSA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@@H+]1CC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1	ZINC000826022426	607732996	/nfs/dbraw/zinc/73/29/96/607732996.db2.gz	MWTAVORZFKKOQZ-JTQLQIEISA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@H+]1CC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1	ZINC000826022426	607732999	/nfs/dbraw/zinc/73/29/99/607732999.db2.gz	MWTAVORZFKKOQZ-JTQLQIEISA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@@H+]1CC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1	ZINC000826022426	607733000	/nfs/dbraw/zinc/73/30/00/607733000.db2.gz	MWTAVORZFKKOQZ-JTQLQIEISA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@H+]1CC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1	ZINC000826022426	607733002	/nfs/dbraw/zinc/73/30/02/607733002.db2.gz	MWTAVORZFKKOQZ-JTQLQIEISA-N	0	3	287.327	0.262	20	50		CCGDHN
O=C(NNc1cc[nH+]cc1)c1sccc1-c1nnn[n-]1	ZINC000826450089	609173027	/nfs/dbraw/zinc/17/30/27/609173027.db2.gz	WTJSCVYTVFYDSG-UHFFFAOYSA-N	0	3	287.308	0.502	20	50		CCGDHN
C[N@@H+]1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000826022789	607353695	/nfs/dbraw/zinc/35/36/95/607353695.db2.gz	RQUORDNTEPFZBI-JTQLQIEISA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@H+]1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1	ZINC000826022789	607353696	/nfs/dbraw/zinc/35/36/96/607353696.db2.gz	RQUORDNTEPFZBI-JTQLQIEISA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@@H+]1CC[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1	ZINC000826022427	607733305	/nfs/dbraw/zinc/73/33/05/607733305.db2.gz	MWTAVORZFKKOQZ-SNVBAGLBSA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@H+]1CC[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1	ZINC000826022427	607733306	/nfs/dbraw/zinc/73/33/06/607733306.db2.gz	MWTAVORZFKKOQZ-SNVBAGLBSA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@@H+]1CC[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1	ZINC000826022427	607733307	/nfs/dbraw/zinc/73/33/07/607733307.db2.gz	MWTAVORZFKKOQZ-SNVBAGLBSA-N	0	3	287.327	0.262	20	50		CCGDHN
C[N@H+]1CC[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1	ZINC000826022427	607733308	/nfs/dbraw/zinc/73/33/08/607733308.db2.gz	MWTAVORZFKKOQZ-SNVBAGLBSA-N	0	3	287.327	0.262	20	50		CCGDHN