smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1	ZINC000181565088	189300864	/nfs/dbraw/zinc/30/08/64/189300864.db2.gz	HCCXSHKOSHCTNO-GOEBONIOSA-N	1	3	291.395	3.120	20	5		CGBDHO
C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc([N+](=O)[O-])c1	ZINC000925596088	619079207	/nfs/dbraw/zinc/07/92/07/619079207.db2.gz	UNZBPLQFTGVUCQ-IACUBPJLSA-N	1	3	291.395	3.151	20	5		CGBDHO
C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925674450	619124301	/nfs/dbraw/zinc/12/43/01/619124301.db2.gz	JVQAGRYMNCMPPD-FPMFFAJLSA-N	1	3	291.395	3.151	20	5		CGBDHO
CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000423275394	529655891	/nfs/dbraw/zinc/65/58/91/529655891.db2.gz	NCZJBHXYXDBNLA-CWRNSKLLSA-N	1	3	291.395	3.153	20	5		CGBDHO
Cc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-]	ZINC000423267325	236014421	/nfs/dbraw/zinc/01/44/21/236014421.db2.gz	FGZWVOQJRQDUEI-AEGPPILISA-N	1	3	291.395	3.071	20	5		CGBDHO
CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1	ZINC000037010406	369050391	/nfs/dbraw/zinc/05/03/91/369050391.db2.gz	QRNOCKIKADUDCH-OAHLLOKOSA-N	1	3	293.411	3.223	20	5		CGBDHO
CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1	ZINC000336850230	376011162	/nfs/dbraw/zinc/01/11/62/376011162.db2.gz	WOTHTCZZAYHVPK-CZUORRHYSA-N	1	3	293.411	3.223	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)CN(C)C	ZINC000132136225	287397823	/nfs/dbraw/zinc/39/78/23/287397823.db2.gz	CFCAATKJCGGPIE-ZDUSSCGKSA-N	1	3	293.411	3.142	20	5		CGBDHO
Cc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-]	ZINC000578867750	335682592	/nfs/dbraw/zinc/68/25/92/335682592.db2.gz	BCRRFMDHGUNUOF-ZDUSSCGKSA-N	1	3	299.374	3.213	20	5		CGBDHO
CCC[C@H]([NH2+]C[C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1	ZINC000336850228	376010791	/nfs/dbraw/zinc/01/07/91/376010791.db2.gz	WOTHTCZZAYHVPK-BBRMVZONSA-N	1	3	293.411	3.223	20	5		CGBDHO
CC[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1	ZINC000592470694	346992059	/nfs/dbraw/zinc/99/20/59/346992059.db2.gz	DGDMWVDXXGIVFS-QGZVFWFLSA-N	1	3	299.374	3.294	20	5		CGBDHO
C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000423292088	236026741	/nfs/dbraw/zinc/02/67/41/236026741.db2.gz	LGTLMNWQRJHBIQ-OLZOCXBDSA-N	1	3	299.374	3.465	20	5		CGBDHO
Cc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-]	ZINC000423267326	372046478	/nfs/dbraw/zinc/04/64/78/372046478.db2.gz	FGZWVOQJRQDUEI-CFVMTHIKSA-N	1	3	291.395	3.071	20	5		CGBDHO
C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc([N+](=O)[O-])c1	ZINC000925596092	619079309	/nfs/dbraw/zinc/07/93/09/619079309.db2.gz	UNZBPLQFTGVUCQ-UBHSHLNASA-N	1	3	291.395	3.151	20	5		CGBDHO
C[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925674690	619124598	/nfs/dbraw/zinc/12/45/98/619124598.db2.gz	JVQAGRYMNCMPPD-IACUBPJLSA-N	1	3	291.395	3.151	20	5		CGBDHO
C[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925674693	619124651	/nfs/dbraw/zinc/12/46/51/619124651.db2.gz	JVQAGRYMNCMPPD-UBHSHLNASA-N	1	3	291.395	3.151	20	5		CGBDHO
C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000423292090	289796433	/nfs/dbraw/zinc/79/64/33/289796433.db2.gz	LGTLMNWQRJHBIQ-STQMWFEESA-N	1	3	299.374	3.465	20	5		CGBDHO
C[C@@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000423290843	236026104	/nfs/dbraw/zinc/02/61/04/236026104.db2.gz	FRFJJBJKOPXKIR-OLZOCXBDSA-N	1	3	299.374	3.465	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CC[NH3+])CC1	ZINC000579721209	378188704	/nfs/dbraw/zinc/18/87/04/378188704.db2.gz	WZVYUMJWHZNABL-CYBMUJFWSA-N	1	3	291.395	3.025	20	5		CGBDHO
N[C@H]1[C@H]2C[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@@H]12	ZINC001235285145	819061806	/nfs/dbraw/zinc/06/18/06/819061806.db2.gz	PGYDNLREUKZDTR-ACDBMABISA-N	1	3	288.394	3.382	20	5		CGBDHO
N[C@H]1[C@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@@H]12	ZINC001235285145	819061812	/nfs/dbraw/zinc/06/18/12/819061812.db2.gz	PGYDNLREUKZDTR-ACDBMABISA-N	1	3	288.394	3.382	20	5		CGBDHO
C[C@H]([NH3+])c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000423290845	236025985	/nfs/dbraw/zinc/02/59/85/236025985.db2.gz	FRFJJBJKOPXKIR-STQMWFEESA-N	1	3	299.374	3.465	20	5		CGBDHO
Cc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-]	ZINC000578867749	335682537	/nfs/dbraw/zinc/68/25/37/335682537.db2.gz	BCRRFMDHGUNUOF-CYBMUJFWSA-N	1	3	299.374	3.213	20	5		CGBDHO
C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000423292087	393658728	/nfs/dbraw/zinc/65/87/28/393658728.db2.gz	LGTLMNWQRJHBIQ-CHWSQXEVSA-N	1	3	299.374	3.465	20	5		CGBDHO
CC[C@H](NCc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1	ZINC000592470693	346992229	/nfs/dbraw/zinc/99/22/29/346992229.db2.gz	DGDMWVDXXGIVFS-KRWDZBQOSA-N	1	3	299.374	3.294	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CC[NH3+])C1	ZINC000420312115	393461750	/nfs/dbraw/zinc/46/17/50/393461750.db2.gz	OIDABRNKUBBDAC-UONOGXRCSA-N	1	3	291.395	3.025	20	5		CGBDHO
Cc1c([C@@H](C)NCc2ccc(C[NH3+])cc2)cccc1[N+](=O)[O-]	ZINC000564989163	322052678	/nfs/dbraw/zinc/05/26/78/322052678.db2.gz	SOYHGYNPFNOJIY-CYBMUJFWSA-N	1	3	299.374	3.213	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CC[NH3+])CC1	ZINC000579721211	335873214	/nfs/dbraw/zinc/87/32/14/335873214.db2.gz	WZVYUMJWHZNABL-ZDUSSCGKSA-N	1	3	291.395	3.025	20	5		CGBDHO
Cc1c([C@H](C)NCc2ccc(C[NH3+])cc2)cccc1[N+](=O)[O-]	ZINC000564989165	322052590	/nfs/dbraw/zinc/05/25/90/322052590.db2.gz	SOYHGYNPFNOJIY-ZDUSSCGKSA-N	1	3	299.374	3.213	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](CC[NH3+])C1	ZINC000420312113	393461057	/nfs/dbraw/zinc/46/10/57/393461057.db2.gz	OIDABRNKUBBDAC-KGLIPLIRSA-N	1	3	291.395	3.025	20	5		CGBDHO
CC[NH+](CC)CCC[C@@H](C)NCc1csc([N+](=O)[O-])c1	ZINC000037562468	173272809	/nfs/dbraw/zinc/27/28/09/173272809.db2.gz	DALCRXBBJCPWMT-GFCCVEGCSA-N	1	3	299.440	3.256	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H](C)[NH3+])CC1	ZINC000420304511	301865879	/nfs/dbraw/zinc/86/58/79/301865879.db2.gz	XZTNEDUSURPQHX-QWHCGFSZSA-N	1	3	291.395	3.023	20	5		CGBDHO
C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1	ZINC000932181370	639289608	/nfs/dbraw/zinc/28/96/08/639289608.db2.gz	PSCSOWQCUYQCFK-UKRRQHHQSA-N	1	3	291.395	3.120	20	5		CGBDHO
C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1	ZINC000296751568	373235078	/nfs/dbraw/zinc/23/50/78/373235078.db2.gz	PSCSOWQCUYQCFK-ZFWWWQNUSA-N	1	3	291.395	3.120	20	5		CGBDHO
Cc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-]	ZINC000414802476	380414856	/nfs/dbraw/zinc/41/48/56/380414856.db2.gz	BQXCOPNXLZSDQW-CYBMUJFWSA-N	1	3	299.374	3.213	20	5		CGBDHO
[NH3+]CCC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000415047664	393110572	/nfs/dbraw/zinc/11/05/72/393110572.db2.gz	FJZUNDCOCGPKAB-KRWDZBQOSA-N	1	3	299.374	3.165	20	5		CGBDHO
C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc([N+](=O)[O-])c1	ZINC000925596094	619079555	/nfs/dbraw/zinc/07/95/55/619079555.db2.gz	UNZBPLQFTGVUCQ-YUTCNCBUSA-N	1	3	291.395	3.151	20	5		CGBDHO
C[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc([N+](=O)[O-])c1	ZINC000925596087	619079577	/nfs/dbraw/zinc/07/95/77/619079577.db2.gz	UNZBPLQFTGVUCQ-FPMFFAJLSA-N	1	3	291.395	3.151	20	5		CGBDHO
[NH3+]CCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423341832	534607537	/nfs/dbraw/zinc/60/75/37/534607537.db2.gz	YCDKOTGABZWRRW-QGZVFWFLSA-N	1	3	299.374	3.013	20	5		CGBDHO
C[C@@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925825775	638622288	/nfs/dbraw/zinc/62/22/88/638622288.db2.gz	JVQAGRYMNCMPPD-BNOWGMLFSA-N	1	3	291.395	3.151	20	5		CGBDHO
Cc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1[N+](=O)[O-]	ZINC000020087897	368799008	/nfs/dbraw/zinc/79/90/08/368799008.db2.gz	VWLCJHBXWLITDL-ZDUSSCGKSA-N	1	3	293.411	3.142	20	5		CGBDHO
CC[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1	ZINC000181565117	189300875	/nfs/dbraw/zinc/30/08/75/189300875.db2.gz	HCCXSHKOSHCTNO-GDBMZVCRSA-N	1	3	291.395	3.120	20	5		CGBDHO
C[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925674695	619124500	/nfs/dbraw/zinc/12/45/00/619124500.db2.gz	JVQAGRYMNCMPPD-YUTCNCBUSA-N	1	3	291.395	3.151	20	5		CGBDHO
CN(CCCCCC[NH3+])Cc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000873231350	634292876	/nfs/dbraw/zinc/29/28/76/634292876.db2.gz	GVSJJFPTIQQFRK-UHFFFAOYSA-N	1	3	299.802	3.199	20	5		CGBDHO
CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000423275393	529669684	/nfs/dbraw/zinc/66/96/84/529669684.db2.gz	NCZJBHXYXDBNLA-BPUTZDHNSA-N	1	3	291.395	3.153	20	5		CGBDHO
CC[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1	ZINC000181565102	189300907	/nfs/dbraw/zinc/30/09/07/189300907.db2.gz	HCCXSHKOSHCTNO-ZBFHGGJFSA-N	1	3	291.395	3.120	20	5		CGBDHO
C[C@H]([NH2+]CCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000037177077	369074613	/nfs/dbraw/zinc/07/46/13/369074613.db2.gz	PJJFMYASOOJUHT-AWEZNQCLSA-N	1	3	291.395	3.121	20	5		CGBDHO
CC[NH+](CC)CCC[C@H](C)NCc1csc([N+](=O)[O-])c1	ZINC000037562469	369089174	/nfs/dbraw/zinc/08/91/74/369089174.db2.gz	DALCRXBBJCPWMT-LBPRGKRZSA-N	1	3	299.440	3.256	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C	ZINC000132136041	287397776	/nfs/dbraw/zinc/39/77/76/287397776.db2.gz	CFCAATKJCGGPIE-CYBMUJFWSA-N	1	3	293.411	3.142	20	5		CGBDHO
C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCCCC[NH3+]	ZINC000710684295	800039091	/nfs/dbraw/zinc/03/90/91/800039091.db2.gz	ZVGGQWRSZKEDIF-CYBMUJFWSA-N	1	3	279.384	3.107	20	5		CGBDHO
CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc([N+](=O)[O-])c1	ZINC000424380280	372085586	/nfs/dbraw/zinc/08/55/86/372085586.db2.gz	WQXNLUGAYXCMNX-BZUAXINKSA-N	1	3	291.395	3.296	20	5		CGBDHO
Cc1cc([N+](=O)[O-])ccc1CNCc1ccc([C@@H](C)[NH3+])cc1	ZINC000414809039	380420204	/nfs/dbraw/zinc/42/02/04/380420204.db2.gz	LRVCOIZWAPYUPX-CYBMUJFWSA-N	1	3	299.374	3.213	20	5		CGBDHO
CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000423373618	528240493	/nfs/dbraw/zinc/24/04/93/528240493.db2.gz	HTKDPKCGVLKFAI-YCPHGPKFSA-N	1	3	291.395	3.296	20	5		CGBDHO
C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCCCC[NH3+]	ZINC000710684296	800038973	/nfs/dbraw/zinc/03/89/73/800038973.db2.gz	ZVGGQWRSZKEDIF-ZDUSSCGKSA-N	1	3	279.384	3.107	20	5		CGBDHO
C[C@@H]([NH3+])c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000423290842	236025430	/nfs/dbraw/zinc/02/54/30/236025430.db2.gz	FRFJJBJKOPXKIR-CHWSQXEVSA-N	1	3	299.374	3.465	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](CC[NH3+])C1	ZINC000420312109	292295838	/nfs/dbraw/zinc/29/58/38/292295838.db2.gz	OIDABRNKUBBDAC-KBPBESRZSA-N	1	3	291.395	3.025	20	5		CGBDHO
CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1	ZINC000336850229	376011415	/nfs/dbraw/zinc/01/14/15/376011415.db2.gz	WOTHTCZZAYHVPK-CJNGLKHVSA-N	1	3	293.411	3.223	20	5		CGBDHO
C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000593321323	347063225	/nfs/dbraw/zinc/06/32/25/347063225.db2.gz	IBWJWNCTGMOBGL-ZDUSSCGKSA-N	1	3	299.374	3.165	20	5		CGBDHO
CCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000423373615	528239968	/nfs/dbraw/zinc/23/99/68/528239968.db2.gz	HTKDPKCGVLKFAI-DZKIICNBSA-N	1	3	291.395	3.296	20	5		CGBDHO
Cc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-]	ZINC000423267328	292248317	/nfs/dbraw/zinc/24/83/17/292248317.db2.gz	FGZWVOQJRQDUEI-QEJZJMRPSA-N	1	3	291.395	3.071	20	5		CGBDHO
Cc1c([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-]	ZINC000423265899	236014556	/nfs/dbraw/zinc/01/45/56/236014556.db2.gz	BIHSPKGWVSJABX-YDHLFZDLSA-N	1	3	291.395	3.071	20	5		CGBDHO
CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000423275395	529669873	/nfs/dbraw/zinc/66/98/73/529669873.db2.gz	NCZJBHXYXDBNLA-KBMXLJTQSA-N	1	3	291.395	3.153	20	5		CGBDHO
C[C@@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925825777	619273726	/nfs/dbraw/zinc/27/37/26/619273726.db2.gz	JVQAGRYMNCMPPD-MRVWCRGKSA-N	1	3	291.395	3.151	20	5		CGBDHO
Cc1c([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-]	ZINC000423265898	236014251	/nfs/dbraw/zinc/01/42/51/236014251.db2.gz	BIHSPKGWVSJABX-KCQAQPDRSA-N	1	3	291.395	3.071	20	5		CGBDHO
CC[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1	ZINC000181565066	189301155	/nfs/dbraw/zinc/30/11/55/189301155.db2.gz	HCCXSHKOSHCTNO-HOCLYGCPSA-N	1	3	291.395	3.120	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H](C)[NH3+])CC1	ZINC000420304512	380846047	/nfs/dbraw/zinc/84/60/47/380846047.db2.gz	XZTNEDUSURPQHX-STQMWFEESA-N	1	3	291.395	3.023	20	5		CGBDHO
[NH3+]CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000415047665	393110949	/nfs/dbraw/zinc/11/09/49/393110949.db2.gz	FJZUNDCOCGPKAB-QGZVFWFLSA-N	1	3	299.374	3.165	20	5		CGBDHO
Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1[N+](=O)[O-]	ZINC000020087895	368799682	/nfs/dbraw/zinc/79/96/82/368799682.db2.gz	VWLCJHBXWLITDL-CYBMUJFWSA-N	1	3	293.411	3.142	20	5		CGBDHO
C[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1	ZINC000932181369	639289687	/nfs/dbraw/zinc/28/96/87/639289687.db2.gz	PSCSOWQCUYQCFK-HIFRSBDPSA-N	1	3	291.395	3.120	20	5		CGBDHO
Cc1c([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-]	ZINC000423265897	236014427	/nfs/dbraw/zinc/01/44/27/236014427.db2.gz	BIHSPKGWVSJABX-GZBFAFLISA-N	1	3	291.395	3.071	20	5		CGBDHO
CCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000423373617	393663983	/nfs/dbraw/zinc/66/39/83/393663983.db2.gz	HTKDPKCGVLKFAI-LZWOXQAQSA-N	1	3	291.395	3.296	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1	ZINC000420304509	380844817	/nfs/dbraw/zinc/84/48/17/380844817.db2.gz	XZTNEDUSURPQHX-CHWSQXEVSA-N	1	3	291.395	3.023	20	5		CGBDHO
[NH3+]CCC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000415061930	393122395	/nfs/dbraw/zinc/12/23/95/393122395.db2.gz	ZEPYMCDXNGWQOR-KRWDZBQOSA-N	1	3	299.374	3.165	20	5		CGBDHO
N[C@@H]1[C@H]2C[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]21	ZINC001235210632	819037251	/nfs/dbraw/zinc/03/72/51/819037251.db2.gz	PGYDNLREUKZDTR-PMOLBWCYSA-N	1	3	288.394	3.382	20	5		CGBDHO
N[C@@H]1[C@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]21	ZINC001235210632	819037256	/nfs/dbraw/zinc/03/72/56/819037256.db2.gz	PGYDNLREUKZDTR-PMOLBWCYSA-N	1	3	288.394	3.382	20	5		CGBDHO
C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000593321315	347063163	/nfs/dbraw/zinc/06/31/63/347063163.db2.gz	IBWJWNCTGMOBGL-CYBMUJFWSA-N	1	3	299.374	3.165	20	5		CGBDHO
Cc1c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cccc1[N+](=O)[O-]	ZINC000132136924	371154997	/nfs/dbraw/zinc/15/49/97/371154997.db2.gz	SYUHWXOUHIIGAB-CYBMUJFWSA-N	1	3	293.411	3.142	20	5		CGBDHO
Cc1c([C@H](C)[NH2+]CC(C)(C)CN(C)C)cccc1[N+](=O)[O-]	ZINC000132137104	371155149	/nfs/dbraw/zinc/15/51/49/371155149.db2.gz	SYUHWXOUHIIGAB-ZDUSSCGKSA-N	1	3	293.411	3.142	20	5		CGBDHO
Cc1cc([N+](=O)[O-])ccc1CNCc1ccc([C@H](C)[NH3+])cc1	ZINC000414809041	380420753	/nfs/dbraw/zinc/42/07/53/380420753.db2.gz	LRVCOIZWAPYUPX-ZDUSSCGKSA-N	1	3	299.374	3.213	20	5		CGBDHO
CCC([NH3+])(CC)CN[C@H](C)CCc1ccccc1[N+](=O)[O-]	ZINC000414804982	380417784	/nfs/dbraw/zinc/41/77/84/380417784.db2.gz	FXSAYGKWCZKRPT-CYBMUJFWSA-N	1	3	293.411	3.023	20	5		CGBDHO
C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000423292089	533448432	/nfs/dbraw/zinc/44/84/32/533448432.db2.gz	LGTLMNWQRJHBIQ-QWHCGFSZSA-N	1	3	299.374	3.465	20	5		CGBDHO
C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000037177078	173011041	/nfs/dbraw/zinc/01/10/41/173011041.db2.gz	PJJFMYASOOJUHT-CQSZACIVSA-N	1	3	291.395	3.121	20	5		CGBDHO
CCC([NH3+])(CC)CN[C@@H](C)CCc1ccccc1[N+](=O)[O-]	ZINC000414804983	528949526	/nfs/dbraw/zinc/94/95/26/528949526.db2.gz	FXSAYGKWCZKRPT-ZDUSSCGKSA-N	1	3	293.411	3.023	20	5		CGBDHO
CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1	ZINC000336850231	376011439	/nfs/dbraw/zinc/01/14/39/376011439.db2.gz	WOTHTCZZAYHVPK-XJKSGUPXSA-N	1	3	293.411	3.223	20	5		CGBDHO
CC(C)c1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000415060479	393121868	/nfs/dbraw/zinc/12/18/68/393121868.db2.gz	WYIUOYHPDDHWAG-HNNXBMFYSA-N	1	3	293.411	3.181	20	5		CGBDHO
CC(C)c1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1[N+](=O)[O-]	ZINC000415060481	393122102	/nfs/dbraw/zinc/12/21/02/393122102.db2.gz	WYIUOYHPDDHWAG-OAHLLOKOSA-N	1	3	293.411	3.181	20	5		CGBDHO
C[C@@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925825778	619273669	/nfs/dbraw/zinc/27/36/69/619273669.db2.gz	JVQAGRYMNCMPPD-XBFCOCLRSA-N	1	3	291.395	3.151	20	5		CGBDHO
[NH3+]CCCCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC000846221402	636162995	/nfs/dbraw/zinc/16/29/95/636162995.db2.gz	YVTJZOAHAFXPKY-UHFFFAOYSA-N	1	3	291.395	3.078	20	5		CGBDHO
O=[N+]([O-])c1cc(CNCCCCC[NH+]2CCCC2)cs1	ZINC000293172029	372318131	/nfs/dbraw/zinc/31/81/31/372318131.db2.gz	WEBYYDMKBJDUQO-UHFFFAOYSA-N	1	3	297.424	3.012	20	5		CGBDHO
C[C@@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1	ZINC000925825776	619273515	/nfs/dbraw/zinc/27/35/15/619273515.db2.gz	JVQAGRYMNCMPPD-KWCYVHTRSA-N	1	3	291.395	3.151	20	5		CGBDHO
CCC[N@H+](CCCN(C)C)Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000349374041	379255691	/nfs/dbraw/zinc/25/56/91/379255691.db2.gz	XXAGGTFXYHXFCT-UHFFFAOYSA-N	1	3	293.411	3.067	20	5		CGBDHO
CCC[N@@H+](CCCN(C)C)Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000349374041	379255702	/nfs/dbraw/zinc/25/57/02/379255702.db2.gz	XXAGGTFXYHXFCT-UHFFFAOYSA-N	1	3	293.411	3.067	20	5		CGBDHO
CC(C)C[C@H](CN)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000414839011	500611701	/nfs/dbraw/zinc/61/17/01/500611701.db2.gz	LGGHEAGQXWOAMH-CQSZACIVSA-N	1	3	293.411	3.181	20	5		CGBDHO
CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000423275396	529655772	/nfs/dbraw/zinc/65/57/72/529655772.db2.gz	NCZJBHXYXDBNLA-VNQPRFMTSA-N	1	3	291.395	3.153	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H](C)[NH3+])CC1	ZINC000420304510	301868161	/nfs/dbraw/zinc/86/81/61/301868161.db2.gz	XZTNEDUSURPQHX-OLZOCXBDSA-N	1	3	291.395	3.023	20	5		CGBDHO
CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1	ZINC000037010405	369050328	/nfs/dbraw/zinc/05/03/28/369050328.db2.gz	QRNOCKIKADUDCH-HNNXBMFYSA-N	1	3	293.411	3.223	20	5		CGBDHO
CC(C)C[C@@H](CN)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000414839009	380446136	/nfs/dbraw/zinc/44/61/36/380446136.db2.gz	LGGHEAGQXWOAMH-AWEZNQCLSA-N	1	3	293.411	3.181	20	5		CGBDHO
Cc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-]	ZINC000414802477	380414215	/nfs/dbraw/zinc/41/42/15/380414215.db2.gz	BQXCOPNXLZSDQW-ZDUSSCGKSA-N	1	3	299.374	3.213	20	5		CGBDHO
C[C@@H](NCc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1	ZINC000423290844	533448481	/nfs/dbraw/zinc/44/84/81/533448481.db2.gz	FRFJJBJKOPXKIR-QWHCGFSZSA-N	1	3	299.374	3.465	20	5		CGBDHO
Cc1c([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-]	ZINC000423265896	236014405	/nfs/dbraw/zinc/01/44/05/236014405.db2.gz	BIHSPKGWVSJABX-GUTXKFCHSA-N	1	3	291.395	3.071	20	5		CGBDHO
C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1	ZINC000296751564	373236015	/nfs/dbraw/zinc/23/60/15/373236015.db2.gz	PSCSOWQCUYQCFK-DZGCQCFKSA-N	1	3	291.395	3.120	20	5		CGBDHO
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](CC[NH3+])C1	ZINC000420312118	393461292	/nfs/dbraw/zinc/46/12/92/393461292.db2.gz	OIDABRNKUBBDAC-ZIAGYGMSSA-N	1	3	291.395	3.025	20	5		CGBDHO
[NH3+]CCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423341830	534605891	/nfs/dbraw/zinc/60/58/91/534605891.db2.gz	YCDKOTGABZWRRW-KRWDZBQOSA-N	1	3	299.374	3.013	20	5		CGBDHO
CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000423373616	528236644	/nfs/dbraw/zinc/23/66/44/528236644.db2.gz	HTKDPKCGVLKFAI-FMKPAKJESA-N	1	3	291.395	3.296	20	5		CGBDHO
Cc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-]	ZINC000423267327	236014575	/nfs/dbraw/zinc/01/45/75/236014575.db2.gz	FGZWVOQJRQDUEI-NWANDNLSSA-N	1	3	291.395	3.071	20	5		CGBDHO
CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cccc([N+](=O)[O-])c1	ZINC000424380282	393683069	/nfs/dbraw/zinc/68/30/69/393683069.db2.gz	WQXNLUGAYXCMNX-OWCLPIDISA-N	1	3	291.395	3.296	20	5		CGBDHO
[NH3+]CCC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000415061931	534620799	/nfs/dbraw/zinc/62/07/99/534620799.db2.gz	ZEPYMCDXNGWQOR-QGZVFWFLSA-N	1	3	299.374	3.165	20	5		CGBDHO