smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=[NH2+])CCCCO[C@@H](C)C[N+](C)(C)C	ZINC001224967575	965175734	/nfs/dbraw/zinc/17/57/34/965175734.db2.gz	XCDAQFGHFWWNAD-LBPRGKRZSA-N	2	2	245.387	2.282	20	5		BEBDLP
C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1	ZINC000342121696	385863677	/nfs/dbraw/zinc/86/36/77/385863677.db2.gz	IVBIWLYKRAQZQB-SNVBAGLBSA-N	2	2	249.314	2.127	20	5		BEBDLP
Cc1c([C@@H](C)[NH2+]CC2([NH3+])CC2)cccc1[N+](=O)[O-]	ZINC000902417552	584591260	/nfs/dbraw/zinc/59/12/60/584591260.db2.gz	SQXXJKIRBPKEDR-SNVBAGLBSA-N	2	2	249.314	2.045	20	5		BEBDLP
C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])CC1	ZINC000020526337	176026929	/nfs/dbraw/zinc/02/69/29/176026929.db2.gz	FDLICFGAUFIYGO-JTQLQIEISA-N	2	2	249.314	2.079	20	5		BEBDLP
Cc1[nH]c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2[nH+]1	ZINC001228330112	963758435	/nfs/dbraw/zinc/75/84/35/963758435.db2.gz	VGCIRYQGXZBYSS-JTQLQIEISA-N	2	2	248.350	2.345	20	5		BEBDLP
Cc1cc(CO[C@H](C)C[N+](C)(C)C)cc(C)[nH+]1	ZINC001223425796	973064003	/nfs/dbraw/zinc/06/40/03/973064003.db2.gz	VFEMXTWGPXSJLZ-CYBMUJFWSA-N	2	2	237.367	2.310	20	5		BEBDLP
C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1	ZINC000342121694	385863633	/nfs/dbraw/zinc/86/36/33/385863633.db2.gz	IVBIWLYKRAQZQB-JTQLQIEISA-N	2	2	249.314	2.127	20	5		BEBDLP
C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-]	ZINC000342129919	385865704	/nfs/dbraw/zinc/86/57/04/385865704.db2.gz	HQYPMLBVGLKWIY-SNVBAGLBSA-N	2	2	249.314	2.127	20	5		BEBDLP
C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH3+])CC1	ZINC000020526336	177042926	/nfs/dbraw/zinc/04/29/26/177042926.db2.gz	FDLICFGAUFIYGO-SNVBAGLBSA-N	2	2	249.314	2.079	20	5		BEBDLP
C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-]	ZINC000342129917	385865477	/nfs/dbraw/zinc/86/54/77/385865477.db2.gz	HQYPMLBVGLKWIY-JTQLQIEISA-N	2	2	249.314	2.127	20	5		BEBDLP
CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1	ZINC000902418593	584591788	/nfs/dbraw/zinc/59/17/88/584591788.db2.gz	WXZVVEPIIFOTMH-GFCCVEGCSA-N	2	2	249.314	2.127	20	5		BEBDLP
Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-]	ZINC000902414872	584600338	/nfs/dbraw/zinc/60/03/38/584600338.db2.gz	FIDYOLJCMVSFNG-SNVBAGLBSA-N	2	2	249.314	2.045	20	5		BEBDLP
Cc1[nH]c2ccc(O[C@H](C)C[N+](C)(C)C)cc2[nH+]1	ZINC001228330113	963758632	/nfs/dbraw/zinc/75/86/32/963758632.db2.gz	VGCIRYQGXZBYSS-SNVBAGLBSA-N	2	2	248.350	2.345	20	5		BEBDLP
Cc1c([C@H](C)[NH2+]CC2([NH3+])CC2)cccc1[N+](=O)[O-]	ZINC000902417551	584591307	/nfs/dbraw/zinc/59/13/07/584591307.db2.gz	SQXXJKIRBPKEDR-JTQLQIEISA-N	2	2	249.314	2.045	20	5		BEBDLP
CCOC(=[NH2+])CCCCO[C@H](C)C[N+](C)(C)C	ZINC001224967573	974110748	/nfs/dbraw/zinc/11/07/48/974110748.db2.gz	XCDAQFGHFWWNAD-GFCCVEGCSA-N	2	2	245.387	2.282	20	5		BEBDLP
Cc1cc(CO[C@@H](C)C[N+](C)(C)C)cc(C)[nH+]1	ZINC001223425797	973066694	/nfs/dbraw/zinc/06/66/94/973066694.db2.gz	VFEMXTWGPXSJLZ-ZDUSSCGKSA-N	2	2	237.367	2.310	20	5		BEBDLP
CC[C@H]([NH2+]CC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1	ZINC000902418595	584591698	/nfs/dbraw/zinc/59/16/98/584591698.db2.gz	WXZVVEPIIFOTMH-LBPRGKRZSA-N	2	2	249.314	2.127	20	5		BEBDLP
Cc1cc[nH+]c(C)c1O[C@H](C)C[N+](C)(C)C	ZINC001227265077	975339127	/nfs/dbraw/zinc/33/91/27/975339127.db2.gz	RUPZBAFSKILPJG-LLVKDONJSA-N	2	2	223.340	2.172	20	5		BEBDLP
Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1[N+](=O)[O-]	ZINC000902414871	584600386	/nfs/dbraw/zinc/60/03/86/584600386.db2.gz	FIDYOLJCMVSFNG-JTQLQIEISA-N	2	2	249.314	2.045	20	5		BEBDLP