smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)c2cncc(N3CCn4nc(CO)cc4C3)n2)CC1	ZINC000217101300	132272070	/nfs/dbraw/zinc/27/20/70/132272070.db2.gz	YAOABCXOGSYSGD-UHFFFAOYSA-N	1	2	357.418	-0.427	50	70		FBIALO
O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCn2nc(CO)cc2C1	ZINC000217190360	132272092	/nfs/dbraw/zinc/27/20/92/132272092.db2.gz	HASOMEKRSZVUEJ-UHFFFAOYSA-N	1	2	357.418	-0.670	50	70		FBIALO
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(Cc2nccn2C)CC1	ZINC000217451454	206362792	/nfs/dbraw/zinc/36/27/92/206362792.db2.gz	XLGJPVXOJGURFC-HNNXBMFYSA-N	1	2	359.434	-0.465	50	70		FBIALO
Cc1nn2c(nc(C[N@H+]3CCCn4nc([C@@H](O)CO)cc4C3)cc2=O)[nH]1	ZINC000217602467	206364129	/nfs/dbraw/zinc/36/41/29/206364129.db2.gz	GNMQDDLYXQONSU-AWEZNQCLSA-N	1	2	359.390	-0.234	50	70		FBIALO
Cc1nn2c(nc(C[N@@H+]3CCCn4nc([C@@H](O)CO)cc4C3)cc2=O)[nH]1	ZINC000217602467	206364127	/nfs/dbraw/zinc/36/41/27/206364127.db2.gz	GNMQDDLYXQONSU-AWEZNQCLSA-N	1	2	359.390	-0.234	50	70		FBIALO
Cc1nn2c(nc(C[N@H+]3CCCn4nc([C@H](O)CO)cc4C3)cc2=O)[nH]1	ZINC000217602558	527200414	/nfs/dbraw/zinc/20/04/14/527200414.db2.gz	GNMQDDLYXQONSU-CQSZACIVSA-N	1	2	359.390	-0.234	50	70		FBIALO
Cc1nn2c(nc(C[N@@H+]3CCCn4nc([C@H](O)CO)cc4C3)cc2=O)[nH]1	ZINC000217602558	527200410	/nfs/dbraw/zinc/20/04/10/527200410.db2.gz	GNMQDDLYXQONSU-CQSZACIVSA-N	1	2	359.390	-0.234	50	70		FBIALO
O=c1cc(C[N@@H+]2CCn3nc([C@@H](O)CO)cc3C2)nc2c(O)cccn12	ZINC000217625966	527479013	/nfs/dbraw/zinc/47/90/13/527479013.db2.gz	MSWYGFKMVGBFQI-HNNXBMFYSA-N	1	2	357.370	-0.362	50	70		FBIALO
O=c1cc(C[N@H+]2CCn3nc([C@@H](O)CO)cc3C2)nc2c(O)cccn12	ZINC000217625966	527479005	/nfs/dbraw/zinc/47/90/05/527479005.db2.gz	MSWYGFKMVGBFQI-HNNXBMFYSA-N	1	2	357.370	-0.362	50	70		FBIALO
O=c1cc(C[N@@H+]2CCn3nc([C@H](O)CO)cc3C2)nc2c(O)cccn12	ZINC000217626045	527479663	/nfs/dbraw/zinc/47/96/63/527479663.db2.gz	MSWYGFKMVGBFQI-OAHLLOKOSA-N	1	2	357.370	-0.362	50	70		FBIALO
O=c1cc(C[N@H+]2CCn3nc([C@H](O)CO)cc3C2)nc2c(O)cccn12	ZINC000217626045	527479657	/nfs/dbraw/zinc/47/96/57/527479657.db2.gz	MSWYGFKMVGBFQI-OAHLLOKOSA-N	1	2	357.370	-0.362	50	70		FBIALO
O=C(c1nc2ccccc2[nH]c1=O)N1CC[NH+](CCn2cncn2)CC1	ZINC000218519438	483863038	/nfs/dbraw/zinc/86/30/38/483863038.db2.gz	ARMJHFBSTGMEPZ-UHFFFAOYSA-N	1	2	353.386	-0.027	50	70		FBIALO