smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121975	568281181	/nfs/dbraw/zinc/28/11/81/568281181.db2.gz	FBLUSBYMYPSZQA-IAGOWNOFSA-N	2	1	373.522	4.528	20	5		FJBDMP
Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121976	568281129	/nfs/dbraw/zinc/28/11/29/568281129.db2.gz	FBLUSBYMYPSZQA-IRXDYDNUSA-N	2	1	373.522	4.528	20	5		FJBDMP
CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131317	568269985	/nfs/dbraw/zinc/26/99/85/568269985.db2.gz	XSRCTJACXPHEJJ-JXFKEZNVSA-N	2	1	373.522	4.609	20	5		FJBDMP
CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131317	568269986	/nfs/dbraw/zinc/26/99/86/568269986.db2.gz	XSRCTJACXPHEJJ-JXFKEZNVSA-N	2	1	373.522	4.609	20	5		FJBDMP
Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121977	568281210	/nfs/dbraw/zinc/28/12/10/568281210.db2.gz	FBLUSBYMYPSZQA-SJORKVTESA-N	2	1	373.522	4.528	20	5		FJBDMP
CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131318	568269944	/nfs/dbraw/zinc/26/99/44/568269944.db2.gz	XSRCTJACXPHEJJ-OXJNMPFZSA-N	2	1	373.522	4.609	20	5		FJBDMP
CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131318	568269945	/nfs/dbraw/zinc/26/99/45/568269945.db2.gz	XSRCTJACXPHEJJ-OXJNMPFZSA-N	2	1	373.522	4.609	20	5		FJBDMP
Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123074	568275999	/nfs/dbraw/zinc/27/59/99/568275999.db2.gz	GTTCVLIMPAUHCJ-DLBZAZTESA-N	2	1	373.522	4.528	20	5		FJBDMP
Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123074	568276000	/nfs/dbraw/zinc/27/60/00/568276000.db2.gz	GTTCVLIMPAUHCJ-DLBZAZTESA-N	2	1	373.522	4.528	20	5		FJBDMP
CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131319	568269965	/nfs/dbraw/zinc/26/99/65/568269965.db2.gz	XSRCTJACXPHEJJ-OXQOHEQNSA-N	2	1	373.522	4.609	20	5		FJBDMP
CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131319	568269966	/nfs/dbraw/zinc/26/99/66/568269966.db2.gz	XSRCTJACXPHEJJ-OXQOHEQNSA-N	2	1	373.522	4.609	20	5		FJBDMP
Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121974	568281218	/nfs/dbraw/zinc/28/12/18/568281218.db2.gz	FBLUSBYMYPSZQA-DLBZAZTESA-N	2	1	373.522	4.528	20	5		FJBDMP
Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123078	568276037	/nfs/dbraw/zinc/27/60/37/568276037.db2.gz	GTTCVLIMPAUHCJ-IAGOWNOFSA-N	2	1	373.522	4.528	20	5		FJBDMP
Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123078	568276039	/nfs/dbraw/zinc/27/60/39/568276039.db2.gz	GTTCVLIMPAUHCJ-IAGOWNOFSA-N	2	1	373.522	4.528	20	5		FJBDMP
CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131320	568269927	/nfs/dbraw/zinc/26/99/27/568269927.db2.gz	XSRCTJACXPHEJJ-UZLBHIALSA-N	2	1	373.522	4.609	20	5		FJBDMP
CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131320	568269928	/nfs/dbraw/zinc/26/99/28/568269928.db2.gz	XSRCTJACXPHEJJ-UZLBHIALSA-N	2	1	373.522	4.609	20	5		FJBDMP
Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123081	568276016	/nfs/dbraw/zinc/27/60/16/568276016.db2.gz	GTTCVLIMPAUHCJ-IRXDYDNUSA-N	2	1	373.522	4.528	20	5		FJBDMP
Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123081	568276018	/nfs/dbraw/zinc/27/60/18/568276018.db2.gz	GTTCVLIMPAUHCJ-IRXDYDNUSA-N	2	1	373.522	4.528	20	5		FJBDMP
Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123083	568276072	/nfs/dbraw/zinc/27/60/72/568276072.db2.gz	GTTCVLIMPAUHCJ-SJORKVTESA-N	2	1	373.522	4.528	20	5		FJBDMP
Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1[N+](=O)[O-]	ZINC000482123083	568276074	/nfs/dbraw/zinc/27/60/74/568276074.db2.gz	GTTCVLIMPAUHCJ-SJORKVTESA-N	2	1	373.522	4.528	20	5		FJBDMP