smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H](C)[NH2+]CC2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-]	ZINC000481713026	568090666	/nfs/dbraw/zinc/09/06/66/568090666.db2.gz	BVAMENVTVGNQLA-MRXNPFEDSA-N	1	3	373.522	4.528	20	5		FJBDHO
C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000481715307	568093774	/nfs/dbraw/zinc/09/37/74/568093774.db2.gz	IUMLPHJUHIQSLR-GOSISDBHSA-N	1	3	367.493	4.822	20	5		FJBDHO
Cc1c([C@@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121975	568281183	/nfs/dbraw/zinc/28/11/83/568281183.db2.gz	FBLUSBYMYPSZQA-IAGOWNOFSA-N	1	3	373.522	4.528	20	5		FJBDHO
Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121975	568281185	/nfs/dbraw/zinc/28/11/85/568281185.db2.gz	FBLUSBYMYPSZQA-IAGOWNOFSA-N	1	3	373.522	4.528	20	5		FJBDHO
C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000481715309	568093711	/nfs/dbraw/zinc/09/37/11/568093711.db2.gz	IUMLPHJUHIQSLR-SFHVURJKSA-N	1	3	367.493	4.822	20	5		FJBDHO
Cc1c([C@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121976	568281131	/nfs/dbraw/zinc/28/11/31/568281131.db2.gz	FBLUSBYMYPSZQA-IRXDYDNUSA-N	1	3	373.522	4.528	20	5		FJBDHO
Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121976	568281132	/nfs/dbraw/zinc/28/11/32/568281132.db2.gz	FBLUSBYMYPSZQA-IRXDYDNUSA-N	1	3	373.522	4.528	20	5		FJBDHO
Cc1ccc([C@H](C)[NH2+]CC2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-]	ZINC000481713025	568090980	/nfs/dbraw/zinc/09/09/80/568090980.db2.gz	BVAMENVTVGNQLA-INIZCTEOSA-N	1	3	373.522	4.528	20	5		FJBDHO
CC[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000481732502	568098292	/nfs/dbraw/zinc/09/82/92/568098292.db2.gz	XASRWOGNBDOHRN-HXUWFJFHSA-N	1	3	373.522	4.609	20	5		FJBDHO
CC[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131317	568269987	/nfs/dbraw/zinc/26/99/87/568269987.db2.gz	XSRCTJACXPHEJJ-JXFKEZNVSA-N	1	3	373.522	4.609	20	5		FJBDHO
CC[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131317	568269988	/nfs/dbraw/zinc/26/99/88/568269988.db2.gz	XSRCTJACXPHEJJ-JXFKEZNVSA-N	1	3	373.522	4.609	20	5		FJBDHO
Cc1c([C@@H](C)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121977	568281211	/nfs/dbraw/zinc/28/12/11/568281211.db2.gz	FBLUSBYMYPSZQA-SJORKVTESA-N	1	3	373.522	4.528	20	5		FJBDHO
Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121977	568281212	/nfs/dbraw/zinc/28/12/12/568281212.db2.gz	FBLUSBYMYPSZQA-SJORKVTESA-N	1	3	373.522	4.528	20	5		FJBDHO
CC[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000481732500	568098436	/nfs/dbraw/zinc/09/84/36/568098436.db2.gz	XASRWOGNBDOHRN-FQEVSTJZSA-N	1	3	373.522	4.609	20	5		FJBDHO
CC[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131318	568269946	/nfs/dbraw/zinc/26/99/46/568269946.db2.gz	XSRCTJACXPHEJJ-OXJNMPFZSA-N	1	3	373.522	4.609	20	5		FJBDHO
CC[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131318	568269947	/nfs/dbraw/zinc/26/99/47/568269947.db2.gz	XSRCTJACXPHEJJ-OXJNMPFZSA-N	1	3	373.522	4.609	20	5		FJBDHO
Cc1c([C@H](C)[NH2+]CC2CCN(Cc3cccs3)CC2)cccc1[N+](=O)[O-]	ZINC000481727365	568098185	/nfs/dbraw/zinc/09/81/85/568098185.db2.gz	UOBPHWRHYOELBW-INIZCTEOSA-N	1	3	373.522	4.528	20	5		FJBDHO
Cc1c([C@@H](C)[NH2+]CC2CCN(Cc3cccs3)CC2)cccc1[N+](=O)[O-]	ZINC000481727367	568098207	/nfs/dbraw/zinc/09/82/07/568098207.db2.gz	UOBPHWRHYOELBW-MRXNPFEDSA-N	1	3	373.522	4.528	20	5		FJBDHO
CC[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131319	568269967	/nfs/dbraw/zinc/26/99/67/568269967.db2.gz	XSRCTJACXPHEJJ-OXQOHEQNSA-N	1	3	373.522	4.609	20	5		FJBDHO
CC[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131319	568269968	/nfs/dbraw/zinc/26/99/68/568269968.db2.gz	XSRCTJACXPHEJJ-OXQOHEQNSA-N	1	3	373.522	4.609	20	5		FJBDHO
Cc1c([C@H](C)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121974	568281219	/nfs/dbraw/zinc/28/12/19/568281219.db2.gz	FBLUSBYMYPSZQA-DLBZAZTESA-N	1	3	373.522	4.528	20	5		FJBDHO
Cc1c([C@H](C)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1[N+](=O)[O-]	ZINC000482121974	568281220	/nfs/dbraw/zinc/28/12/20/568281220.db2.gz	FBLUSBYMYPSZQA-DLBZAZTESA-N	1	3	373.522	4.528	20	5		FJBDHO
CC[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131320	568269929	/nfs/dbraw/zinc/26/99/29/568269929.db2.gz	XSRCTJACXPHEJJ-UZLBHIALSA-N	1	3	373.522	4.609	20	5		FJBDHO
CC[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc([N+](=O)[O-])c1	ZINC000482131320	568269930	/nfs/dbraw/zinc/26/99/30/568269930.db2.gz	XSRCTJACXPHEJJ-UZLBHIALSA-N	1	3	373.522	4.609	20	5		FJBDHO