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+]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1	ZINC000736847667	944898457	/nfs/dbraw/zinc/89/84/57/944898457.db2.gz	IVGNXYPBMOCBIG-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1	ZINC000736847667	944898464	/nfs/dbraw/zinc/89/84/64/944898464.db2.gz	IVGNXYPBMOCBIG-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@@H+]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1	ZINC000736847667	944898469	/nfs/dbraw/zinc/89/84/69/944898469.db2.gz	IVGNXYPBMOCBIG-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1	ZINC000736847667	944898477	/nfs/dbraw/zinc/89/84/77/944898477.db2.gz	IVGNXYPBMOCBIG-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@@H+]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1	ZINC000736847670	944897304	/nfs/dbraw/zinc/89/73/04/944897304.db2.gz	IVGNXYPBMOCBIG-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1	ZINC000736847670	944897311	/nfs/dbraw/zinc/89/73/11/944897311.db2.gz	IVGNXYPBMOCBIG-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@@H+]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1	ZINC000736847670	944897318	/nfs/dbraw/zinc/89/73/18/944897318.db2.gz	IVGNXYPBMOCBIG-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1	ZINC000736847670	944897323	/nfs/dbraw/zinc/89/73/23/944897323.db2.gz	IVGNXYPBMOCBIG-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@@H+]1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1	ZINC000736849278	944897244	/nfs/dbraw/zinc/89/72/44/944897244.db2.gz	RBXJTWXLEZEKAR-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1	ZINC000736849278	944897252	/nfs/dbraw/zinc/89/72/52/944897252.db2.gz	RBXJTWXLEZEKAR-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@@H+]1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1	ZINC000736849278	944897259	/nfs/dbraw/zinc/89/72/59/944897259.db2.gz	RBXJTWXLEZEKAR-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1	ZINC000736849278	944897261	/nfs/dbraw/zinc/89/72/61/944897261.db2.gz	RBXJTWXLEZEKAR-LLVKDONJSA-N	0	3	315.337	-0.421	20	50		DBGDHN
Cc1onc(CC(=O)NNc2cc[nH+]cc2)c1-c1nnn[n-]1	ZINC000826348456	609262639	/nfs/dbraw/zinc/26/26/39/609262639.db2.gz	NADZFXDHHRGDFE-UHFFFAOYSA-N	0	3	300.282	-0.334	20	50		DBGDHN
C[N@@H+]1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1	ZINC000736849282	944898611	/nfs/dbraw/zinc/89/86/11/944898611.db2.gz	RBXJTWXLEZEKAR-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1	ZINC000736849282	944898617	/nfs/dbraw/zinc/89/86/17/944898617.db2.gz	RBXJTWXLEZEKAR-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@@H+]1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1	ZINC000736849282	944898621	/nfs/dbraw/zinc/89/86/21/944898621.db2.gz	RBXJTWXLEZEKAR-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN
C[N@H+]1CC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1	ZINC000736849282	944898627	/nfs/dbraw/zinc/89/86/27/944898627.db2.gz	RBXJTWXLEZEKAR-NSHDSACASA-N	0	3	315.337	-0.421	20	50		DBGDHN