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+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000180554157	352095818	/nfs/dbraw/zinc/09/58/18/352095818.db2.gz	NAGKNQJKNIMHMD-SECBINFHSA-N	1	2	295.299	-0.368	10	5		CBBELO
C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000180554157	352095821	/nfs/dbraw/zinc/09/58/21/352095821.db2.gz	NAGKNQJKNIMHMD-SECBINFHSA-N	1	2	295.299	-0.368	10	5		CBBELO
O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-]	ZINC000179185187	189176108	/nfs/dbraw/zinc/17/61/08/189176108.db2.gz	LAXFLQPKVOEJIT-ZJUUUORDSA-N	1	2	295.295	-0.039	10	5		CBBELO
O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-]	ZINC000179185187	189176109	/nfs/dbraw/zinc/17/61/09/189176109.db2.gz	LAXFLQPKVOEJIT-ZJUUUORDSA-N	1	2	295.295	-0.039	10	5		CBBELO
Cc1noc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000038034834	174033257	/nfs/dbraw/zinc/03/32/57/174033257.db2.gz	HWBKIACPBJWDKT-VIFPVBQESA-N	1	2	282.260	-0.367	10	5		CBBELO
NN=c1nc[nH]c(NCC[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000040656804	174365550	/nfs/dbraw/zinc/36/55/50/174365550.db2.gz	DUHNBZNQWCGEMZ-UHFFFAOYSA-N	1	2	283.292	-0.586	10	5		CBBELO
C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000171285968	352010355	/nfs/dbraw/zinc/01/03/55/352010355.db2.gz	MJJYUECIVUPWRW-NSHDSACASA-N	1	2	297.315	-0.372	10	5		CBBELO
C[N@H+]1CCO[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000171285968	352010357	/nfs/dbraw/zinc/01/03/57/352010357.db2.gz	MJJYUECIVUPWRW-NSHDSACASA-N	1	2	297.315	-0.372	10	5		CBBELO
O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000262476423	352423576	/nfs/dbraw/zinc/42/35/76/352423576.db2.gz	YWPSUHBZELVTBR-GZMMTYOYSA-N	1	2	281.268	-0.390	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C	ZINC000356927927	248301589	/nfs/dbraw/zinc/30/15/89/248301589.db2.gz	CIDDXFAHOVVUBI-ZJUUUORDSA-N	1	2	295.299	-0.517	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C	ZINC000356927927	248301593	/nfs/dbraw/zinc/30/15/93/248301593.db2.gz	CIDDXFAHOVVUBI-ZJUUUORDSA-N	1	2	295.299	-0.517	10	5		CBBELO
C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]21	ZINC000356912720	277123028	/nfs/dbraw/zinc/12/30/28/277123028.db2.gz	MTLQZRLNXXSOLJ-RKDXNWHRSA-N	1	2	281.272	-0.527	10	5		CBBELO
C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]21	ZINC000356912720	277123030	/nfs/dbraw/zinc/12/30/30/277123030.db2.gz	MTLQZRLNXXSOLJ-RKDXNWHRSA-N	1	2	281.272	-0.527	10	5		CBBELO
CN1C[N@H+](C)CC(C)(N2COC[C@@](C)([N+](=O)[O-])C2)C1	ZINC000584659429	355034969	/nfs/dbraw/zinc/03/49/69/355034969.db2.gz	JTAZTBIBKKXHMZ-LBPRGKRZSA-N	1	2	272.349	-0.095	10	5		CBBELO
CN1C[N@@H+](C)CC(C)(N2COC[C@@](C)([N+](=O)[O-])C2)C1	ZINC000584659429	355034973	/nfs/dbraw/zinc/03/49/73/355034973.db2.gz	JTAZTBIBKKXHMZ-LBPRGKRZSA-N	1	2	272.349	-0.095	10	5		CBBELO
O=[N+]([O-])c1cnc(NC[C@H](O)C[NH+]2CCOCC2)nc1	ZINC000302138963	201359165	/nfs/dbraw/zinc/35/91/65/201359165.db2.gz	CSAQXYDFHOOLIS-JTQLQIEISA-N	1	2	283.288	-0.510	10	5		CBBELO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@H+](C)CCO1	ZINC000194599561	352216631	/nfs/dbraw/zinc/21/66/31/352216631.db2.gz	HMXHFKVPBBELAA-JTQLQIEISA-N	1	2	297.315	-0.453	10	5		CBBELO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000194599561	352216634	/nfs/dbraw/zinc/21/66/34/352216634.db2.gz	HMXHFKVPBBELAA-JTQLQIEISA-N	1	2	297.315	-0.453	10	5		CBBELO
CN1C[N@H+](C)CC(C)(N2COC[C@](C)([N+](=O)[O-])C2)C1	ZINC000584659424	355034885	/nfs/dbraw/zinc/03/48/85/355034885.db2.gz	JTAZTBIBKKXHMZ-GFCCVEGCSA-N	1	2	272.349	-0.095	10	5		CBBELO
CN1C[N@@H+](C)CC(C)(N2COC[C@](C)([N+](=O)[O-])C2)C1	ZINC000584659424	355034889	/nfs/dbraw/zinc/03/48/89/355034889.db2.gz	JTAZTBIBKKXHMZ-GFCCVEGCSA-N	1	2	272.349	-0.095	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1	ZINC000356927913	248302241	/nfs/dbraw/zinc/30/22/41/248302241.db2.gz	CIDDXFAHOVVUBI-UWVGGRQHSA-N	1	2	295.299	-0.517	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1	ZINC000356927913	248302247	/nfs/dbraw/zinc/30/22/47/248302247.db2.gz	CIDDXFAHOVVUBI-UWVGGRQHSA-N	1	2	295.299	-0.517	10	5		CBBELO
O=c1[nH]cnc(NCC[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000040659862	174365716	/nfs/dbraw/zinc/36/57/16/174365716.db2.gz	JTRDRKOQWNCDSY-UHFFFAOYSA-N	1	2	269.261	-0.578	10	5		CBBELO
O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000262476426	352423297	/nfs/dbraw/zinc/42/32/97/352423297.db2.gz	YWPSUHBZELVTBR-KCJUWKMLSA-N	1	2	281.268	-0.390	10	5		CBBELO
O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCOCC2)nc1	ZINC000302138964	201359595	/nfs/dbraw/zinc/35/95/95/201359595.db2.gz	CSAQXYDFHOOLIS-SNVBAGLBSA-N	1	2	283.288	-0.510	10	5		CBBELO
C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]21	ZINC000356912690	529790934	/nfs/dbraw/zinc/79/09/34/529790934.db2.gz	MTLQZRLNXXSOLJ-BDAKNGLRSA-N	1	2	281.272	-0.527	10	5		CBBELO
C[N@H+]1CCO[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@H]21	ZINC000356912690	529790935	/nfs/dbraw/zinc/79/09/35/529790935.db2.gz	MTLQZRLNXXSOLJ-BDAKNGLRSA-N	1	2	281.272	-0.527	10	5		CBBELO
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC[C@@H]1CO	ZINC000168823984	351995109	/nfs/dbraw/zinc/99/51/09/351995109.db2.gz	GBVZKIBLPNQWQF-JTQLQIEISA-N	1	2	270.289	-0.207	10	5		CBBELO
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC[C@@H]1CO	ZINC000168823984	351995112	/nfs/dbraw/zinc/99/51/12/351995112.db2.gz	GBVZKIBLPNQWQF-JTQLQIEISA-N	1	2	270.289	-0.207	10	5		CBBELO
O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000262476429	352423523	/nfs/dbraw/zinc/42/35/23/352423523.db2.gz	YWPSUHBZELVTBR-KWQFWETISA-N	1	2	281.268	-0.390	10	5		CBBELO
C[C@@H]1C(=O)NCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000189334919	352167467	/nfs/dbraw/zinc/16/74/67/352167467.db2.gz	KBSJAPAZBNQIHO-SNVBAGLBSA-N	1	2	294.311	-0.033	10	5		CBBELO
C[C@@H]1C(=O)NCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000189334919	352167468	/nfs/dbraw/zinc/16/74/68/352167468.db2.gz	KBSJAPAZBNQIHO-SNVBAGLBSA-N	1	2	294.311	-0.033	10	5		CBBELO
COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247498731	352347381	/nfs/dbraw/zinc/34/73/81/352347381.db2.gz	LMMJMIXODWYVBG-GHMZBOCLSA-N	1	2	298.299	-0.210	10	5		CBBELO
COC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247498731	352347382	/nfs/dbraw/zinc/34/73/82/352347382.db2.gz	LMMJMIXODWYVBG-GHMZBOCLSA-N	1	2	298.299	-0.210	10	5		CBBELO
O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000262476432	352423207	/nfs/dbraw/zinc/42/32/07/352423207.db2.gz	YWPSUHBZELVTBR-LDYMZIIASA-N	1	2	281.268	-0.390	10	5		CBBELO
O=[N+]([O-])c1ccc2c(c1)=[N+]([O-])C1(CCCC1)[N+]=2O	ZINC000575337857	354935028	/nfs/dbraw/zinc/93/50/28/354935028.db2.gz	HNTJQORKZMNBHM-UHFFFAOYSA-N	1	2	251.242	-0.361	10	5		CBBELO
C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21	ZINC000356912714	248300432	/nfs/dbraw/zinc/30/04/32/248300432.db2.gz	MTLQZRLNXXSOLJ-IUCAKERBSA-N	1	2	281.272	-0.527	10	5		CBBELO
C[N@H+]1CCO[C@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21	ZINC000356912714	248300435	/nfs/dbraw/zinc/30/04/35/248300435.db2.gz	MTLQZRLNXXSOLJ-IUCAKERBSA-N	1	2	281.272	-0.527	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1	ZINC000356927909	248302155	/nfs/dbraw/zinc/30/21/55/248302155.db2.gz	CIDDXFAHOVVUBI-NXEZZACHSA-N	1	2	295.299	-0.517	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1	ZINC000356927909	248302160	/nfs/dbraw/zinc/30/21/60/248302160.db2.gz	CIDDXFAHOVVUBI-NXEZZACHSA-N	1	2	295.299	-0.517	10	5		CBBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000180554175	352095663	/nfs/dbraw/zinc/09/56/63/352095663.db2.gz	NAGKNQJKNIMHMD-VIFPVBQESA-N	1	2	295.299	-0.368	10	5		CBBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1	ZINC000180554175	352095664	/nfs/dbraw/zinc/09/56/64/352095664.db2.gz	NAGKNQJKNIMHMD-VIFPVBQESA-N	1	2	295.299	-0.368	10	5		CBBELO
O=c1[nH]cnc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000040623254	174355948	/nfs/dbraw/zinc/35/59/48/174355948.db2.gz	UBNYRLMCFODNLR-UHFFFAOYSA-N	1	2	283.288	-0.188	10	5		CBBELO
C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000194618938	352217533	/nfs/dbraw/zinc/21/75/33/352217533.db2.gz	JDIUIMVSYRFDEZ-JTQLQIEISA-N	1	2	283.288	-0.762	10	5		CBBELO
C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000194618938	352217536	/nfs/dbraw/zinc/21/75/36/352217536.db2.gz	JDIUIMVSYRFDEZ-JTQLQIEISA-N	1	2	283.288	-0.762	10	5		CBBELO
C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000194618925	352217589	/nfs/dbraw/zinc/21/75/89/352217589.db2.gz	JDIUIMVSYRFDEZ-SNVBAGLBSA-N	1	2	283.288	-0.762	10	5		CBBELO
C[N@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000194618925	352217592	/nfs/dbraw/zinc/21/75/92/352217592.db2.gz	JDIUIMVSYRFDEZ-SNVBAGLBSA-N	1	2	283.288	-0.762	10	5		CBBELO
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@H](CO)C1	ZINC000168590470	351994407	/nfs/dbraw/zinc/99/44/07/351994407.db2.gz	CRGNXGLBMLOBMD-JTQLQIEISA-N	1	2	270.289	-0.207	10	5		CBBELO
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@H](CO)C1	ZINC000168590470	351994409	/nfs/dbraw/zinc/99/44/09/351994409.db2.gz	CRGNXGLBMLOBMD-JTQLQIEISA-N	1	2	270.289	-0.207	10	5		CBBELO
C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21	ZINC000356912708	529786078	/nfs/dbraw/zinc/78/60/78/529786078.db2.gz	MTLQZRLNXXSOLJ-DTWKUNHWSA-N	1	2	281.272	-0.527	10	5		CBBELO
C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C[C@@H]21	ZINC000356912708	529786079	/nfs/dbraw/zinc/78/60/79/529786079.db2.gz	MTLQZRLNXXSOLJ-DTWKUNHWSA-N	1	2	281.272	-0.527	10	5		CBBELO
O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-]	ZINC000179185177	189175495	/nfs/dbraw/zinc/17/54/95/189175495.db2.gz	LAXFLQPKVOEJIT-NXEZZACHSA-N	1	2	295.295	-0.039	10	5		CBBELO
O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-]	ZINC000179185177	189175496	/nfs/dbraw/zinc/17/54/96/189175496.db2.gz	LAXFLQPKVOEJIT-NXEZZACHSA-N	1	2	295.295	-0.039	10	5		CBBELO
O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc([N+](=O)[O-])o1	ZINC000090698717	180026733	/nfs/dbraw/zinc/02/67/33/180026733.db2.gz	UBFSATKJAZNTQE-SECBINFHSA-N	1	2	280.284	-0.083	10	5		CBBELO
C[N@@H+]1CCO[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000171285965	352009387	/nfs/dbraw/zinc/00/93/87/352009387.db2.gz	MJJYUECIVUPWRW-LLVKDONJSA-N	1	2	297.315	-0.372	10	5		CBBELO
C[N@H+]1CCO[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1	ZINC000171285965	352009389	/nfs/dbraw/zinc/00/93/89/352009389.db2.gz	MJJYUECIVUPWRW-LLVKDONJSA-N	1	2	297.315	-0.372	10	5		CBBELO
C[N@@H+]1CCO[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	ZINC000378010439	529785638	/nfs/dbraw/zinc/78/56/38/529785638.db2.gz	DDUKYGFRWKRGEL-WDEREUQCSA-N	1	2	295.299	-0.667	10	5		CBBELO
C[N@H+]1CCO[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21	ZINC000378010439	529785639	/nfs/dbraw/zinc/78/56/39/529785639.db2.gz	DDUKYGFRWKRGEL-WDEREUQCSA-N	1	2	295.299	-0.667	10	5		CBBELO
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](CO)C1	ZINC000168590582	351994836	/nfs/dbraw/zinc/99/48/36/351994836.db2.gz	CRGNXGLBMLOBMD-SNVBAGLBSA-N	1	2	270.289	-0.207	10	5		CBBELO
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](CO)C1	ZINC000168590582	351994840	/nfs/dbraw/zinc/99/48/40/351994840.db2.gz	CRGNXGLBMLOBMD-SNVBAGLBSA-N	1	2	270.289	-0.207	10	5		CBBELO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000194599551	352216669	/nfs/dbraw/zinc/21/66/69/352216669.db2.gz	HMXHFKVPBBELAA-SNVBAGLBSA-N	1	2	297.315	-0.453	10	5		CBBELO
Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000194599551	352216671	/nfs/dbraw/zinc/21/66/71/352216671.db2.gz	HMXHFKVPBBELAA-SNVBAGLBSA-N	1	2	297.315	-0.453	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1	ZINC000356927920	248301929	/nfs/dbraw/zinc/30/19/29/248301929.db2.gz	CIDDXFAHOVVUBI-VHSXEESVSA-N	1	2	295.299	-0.517	10	5		CBBELO
Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1	ZINC000356927920	248301934	/nfs/dbraw/zinc/30/19/34/248301934.db2.gz	CIDDXFAHOVVUBI-VHSXEESVSA-N	1	2	295.299	-0.517	10	5		CBBELO
C[NH+]1CCN(c2c([N+](=O)[O-])n[nH]c2[N+](=O)[O-])CC1	ZINC000584660788	355034644	/nfs/dbraw/zinc/03/46/44/355034644.db2.gz	DKAFAAWFGJTKQF-UHFFFAOYSA-N	1	2	256.222	-0.022	10	5		CBBELO
C[NH+]1CCN(Nc2nc[nH]c(=O)c2[N+](=O)[O-])CC1	ZINC000040623718	174356096	/nfs/dbraw/zinc/35/60/96/174356096.db2.gz	XUDPTHUENKPTJP-UHFFFAOYSA-N	1	2	254.250	-0.335	10	5		CBBELO
O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc([N+](=O)[O-])o1	ZINC000090698718	180026995	/nfs/dbraw/zinc/02/69/95/180026995.db2.gz	UBFSATKJAZNTQE-VIFPVBQESA-N	1	2	280.284	-0.083	10	5		CBBELO
COC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075716179	351671029	/nfs/dbraw/zinc/67/10/29/351671029.db2.gz	LMMJMIXODWYVBG-WDEREUQCSA-N	1	2	298.299	-0.210	10	5		CBBELO
COC(=O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075716179	351671031	/nfs/dbraw/zinc/67/10/31/351671031.db2.gz	LMMJMIXODWYVBG-WDEREUQCSA-N	1	2	298.299	-0.210	10	5		CBBELO
O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H](O)C[NH2+]1	ZINC000236550650	352290222	/nfs/dbraw/zinc/29/02/22/352290222.db2.gz	PVAVVTBRCFRTKW-VXNVDRBHSA-N	1	2	267.241	-0.038	10	5		CBBELO
Cc1noc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1	ZINC000038034835	174033189	/nfs/dbraw/zinc/03/31/89/174033189.db2.gz	HWBKIACPBJWDKT-SECBINFHSA-N	1	2	282.260	-0.367	10	5		CBBELO
COC(=O)c1nn(CC[NH+]2CCOCC2)cc1[N+](=O)[O-]	ZINC000166799500	351987805	/nfs/dbraw/zinc/98/78/05/351987805.db2.gz	YSCRSFNTQKTMCS-UHFFFAOYSA-N	1	2	284.272	-0.090	10	5		CBBELO