smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](C)[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000825391153	607337353	/nfs/dbraw/zinc/33/73/53/607337353.db2.gz	VTDVXUQRKRNVTO-MRXNPFEDSA-N	1	1	351.414	2.003	20	50		FEGDMO
CC[N@@H+](C)[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000825391153	607337354	/nfs/dbraw/zinc/33/73/54/607337354.db2.gz	VTDVXUQRKRNVTO-MRXNPFEDSA-N	1	1	351.414	2.003	20	50		FEGDMO
CC[N@H+](C)[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000825391230	607356353	/nfs/dbraw/zinc/35/63/53/607356353.db2.gz	WYBCACWXQSDYTA-MRXNPFEDSA-N	1	1	351.414	2.003	20	50		FEGDMO
CC[N@@H+](C)[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000825391230	607356354	/nfs/dbraw/zinc/35/63/54/607356354.db2.gz	WYBCACWXQSDYTA-MRXNPFEDSA-N	1	1	351.414	2.003	20	50		FEGDMO
O=C(CCl)Nc1cccnc1N1CC[NH+](CCc2ccccn2)CC1	ZINC001165055230	722016401	/nfs/dbraw/zinc/01/64/01/722016401.db2.gz	NFEOYNCCMMSDIK-UHFFFAOYSA-N	1	1	359.861	2.019	20	50		FEGDMO
C[N@@H+](CCCI)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000825918916	609295586	/nfs/dbraw/zinc/29/55/86/609295586.db2.gz	OZDABDALVFXZSO-UHFFFAOYSA-N	1	1	357.199	2.124	20	50		FEGDMO
CC[N@H+](C)[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000825391152	607337201	/nfs/dbraw/zinc/33/72/01/607337201.db2.gz	VTDVXUQRKRNVTO-INIZCTEOSA-N	1	1	351.414	2.003	20	50		FEGDMO
CC[N@@H+](C)[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC000825391152	607337202	/nfs/dbraw/zinc/33/72/02/607337202.db2.gz	VTDVXUQRKRNVTO-INIZCTEOSA-N	1	1	351.414	2.003	20	50		FEGDMO
O=C(CCl)Nc1cccnc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC001165044435	721959666	/nfs/dbraw/zinc/95/96/66/721959666.db2.gz	LDRXUKLQTWHCAP-UHFFFAOYSA-N	1	1	374.872	2.460	20	50		FEGDMO
CC[N@H+](C)[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000825391228	607356394	/nfs/dbraw/zinc/35/63/94/607356394.db2.gz	WYBCACWXQSDYTA-INIZCTEOSA-N	1	1	351.414	2.003	20	50		FEGDMO
CC[N@@H+](C)[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1	ZINC000825391228	607356395	/nfs/dbraw/zinc/35/63/95/607356395.db2.gz	WYBCACWXQSDYTA-INIZCTEOSA-N	1	1	351.414	2.003	20	50		FEGDMO
C[N@@H+](CCCI)Cc1cccc(-c2nn[nH]n2)c1	ZINC000825918953	609295065	/nfs/dbraw/zinc/29/50/65/609295065.db2.gz	QKDCSYBHPLXKFL-UHFFFAOYSA-N	1	1	357.199	2.124	20	50		FEGDMO