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]([NH3+])C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423461686	529453868	/nfs/dbraw/zinc/45/38/68/529453868.db2.gz	KDPLFJHMJUNCJX-DOTOQJQBSA-N	2	2	299.374	3.011	20	5		CGBDLP
CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423461696	529569485	/nfs/dbraw/zinc/56/94/85/529569485.db2.gz	KDPLFJHMJUNCJX-WBVHZDCISA-N	2	2	299.374	3.011	20	5		CGBDLP
CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721110	369025862	/nfs/dbraw/zinc/02/58/62/369025862.db2.gz	XAOGTAARJYYFEG-JKSUJKDBSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721110	369025866	/nfs/dbraw/zinc/02/58/66/369025866.db2.gz	XAOGTAARJYYFEG-JKSUJKDBSA-N	2	2	291.395	3.120	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000290406214	371982559	/nfs/dbraw/zinc/98/25/59/371982559.db2.gz	PUIHCWLGUDZFFV-UHFFFAOYSA-N	2	2	299.374	3.063	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000289108164	197237610	/nfs/dbraw/zinc/23/76/10/197237610.db2.gz	MPNZGYQYVKDCTD-UHFFFAOYSA-N	2	2	299.374	3.363	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-]	ZINC000289108164	197237611	/nfs/dbraw/zinc/23/76/11/197237611.db2.gz	MPNZGYQYVKDCTD-UHFFFAOYSA-N	2	2	299.374	3.363	20	5		CGBDLP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC[NH+]1CCCC1	ZINC000299123588	287144443	/nfs/dbraw/zinc/14/44/43/287144443.db2.gz	MSIZBBGSOCDCOU-AWEZNQCLSA-N	2	2	291.395	3.074	20	5		CGBDLP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC[NH+]1CCCC1	ZINC000299123588	287144445	/nfs/dbraw/zinc/14/44/45/287144445.db2.gz	MSIZBBGSOCDCOU-AWEZNQCLSA-N	2	2	291.395	3.074	20	5		CGBDLP
CCC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000423371953	528241415	/nfs/dbraw/zinc/24/14/15/528241415.db2.gz	VPTWYNDEVQJDOB-RCBQFDQVSA-N	2	2	291.395	3.024	20	5		CGBDLP
CCC[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000020127093	171012218	/nfs/dbraw/zinc/01/22/18/171012218.db2.gz	HGCCAVIWAMYHEN-INIZCTEOSA-N	2	2	291.395	3.121	20	5		CGBDLP
C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000020526186	278344681	/nfs/dbraw/zinc/34/46/81/278344681.db2.gz	SFCOGSJCJLCCIG-CQSZACIVSA-N	2	2	291.395	3.121	20	5		CGBDLP
CCC[NH2+]CC[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1	ZINC000423313069	528517006	/nfs/dbraw/zinc/51/70/06/528517006.db2.gz	TYZDBNXZQUSDBO-OAHLLOKOSA-N	2	2	279.384	3.025	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-]	ZINC000449200178	239240857	/nfs/dbraw/zinc/24/08/57/239240857.db2.gz	BDYLANWXZYMTIL-CQSZACIVSA-N	2	2	299.374	3.062	20	5		CGBDLP
C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-]	ZINC000423017008	371916367	/nfs/dbraw/zinc/91/63/67/371916367.db2.gz	NTPAFOGNHKOGKX-XZJROXQQSA-N	2	2	297.358	3.390	20	5		CGBDLP
CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801875	218019212	/nfs/dbraw/zinc/01/92/12/218019212.db2.gz	CNHHTOLAQIDWII-VBNZEHGJSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801875	218019214	/nfs/dbraw/zinc/01/92/14/218019214.db2.gz	CNHHTOLAQIDWII-VBNZEHGJSA-N	2	2	291.395	3.118	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C	ZINC000348417934	378949174	/nfs/dbraw/zinc/94/91/74/378949174.db2.gz	YQIPLLVZJQBOKA-UHFFFAOYSA-N	2	2	299.374	3.329	20	5		CGBDLP
C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000594725266	347214363	/nfs/dbraw/zinc/21/43/63/347214363.db2.gz	XTMBMBALHMSCFJ-DOMZBBRYSA-N	2	2	291.395	3.118	20	5		CGBDLP
CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000423298270	528955979	/nfs/dbraw/zinc/95/59/79/528955979.db2.gz	NVGAFZMJLOFZSN-GXTWGEPZSA-N	2	2	279.384	3.071	20	5		CGBDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020092018	368800420	/nfs/dbraw/zinc/80/04/20/368800420.db2.gz	ZWWVKQMWDQDUAN-DZGCQCFKSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020092018	368800421	/nfs/dbraw/zinc/80/04/21/368800421.db2.gz	ZWWVKQMWDQDUAN-DZGCQCFKSA-N	2	2	291.395	3.038	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000289197057	197260039	/nfs/dbraw/zinc/26/00/39/197260039.db2.gz	HJOZDMWNNVQTNH-UHFFFAOYSA-N	2	2	285.347	3.021	20	5		CGBDLP
CCC[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1	ZINC000045663832	369284008	/nfs/dbraw/zinc/28/40/08/369284008.db2.gz	QPULPSGERBZJGF-MRXNPFEDSA-N	2	2	293.411	3.367	20	5		CGBDLP
C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-]	ZINC000423017006	393647723	/nfs/dbraw/zinc/64/77/23/393647723.db2.gz	NTPAFOGNHKOGKX-UVBJJODRSA-N	2	2	297.358	3.390	20	5		CGBDLP
C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000423146923	278285391	/nfs/dbraw/zinc/28/53/91/278285391.db2.gz	QONVDXKQFRAWPW-JECHBYEQSA-N	2	2	297.358	3.390	20	5		CGBDLP
Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-]	ZINC000423234323	236004769	/nfs/dbraw/zinc/00/47/69/236004769.db2.gz	FOGQDHADDXTUCJ-CZUORRHYSA-N	2	2	299.374	3.254	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000346798753	218017049	/nfs/dbraw/zinc/01/70/49/218017049.db2.gz	NKYJPOCDPKZEIY-GZBFAFLISA-N	2	2	291.395	3.037	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000346798753	218017052	/nfs/dbraw/zinc/01/70/52/218017052.db2.gz	NKYJPOCDPKZEIY-GZBFAFLISA-N	2	2	291.395	3.037	20	5		CGBDLP
Cc1ccc(CCC[NH2+]CCc2cccc([N+](=O)[O-])c2)c[nH+]1	ZINC000354590069	380497332	/nfs/dbraw/zinc/49/73/32/380497332.db2.gz	ZIIMGCASBIMNJL-UHFFFAOYSA-N	2	2	299.374	3.063	20	5		CGBDLP
CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584524	529010428	/nfs/dbraw/zinc/01/04/28/529010428.db2.gz	PIEKYCKDVJAROB-JKSUJKDBSA-N	2	2	291.395	3.120	20	5		CGBDLP
CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584524	529010432	/nfs/dbraw/zinc/01/04/32/529010432.db2.gz	PIEKYCKDVJAROB-JKSUJKDBSA-N	2	2	291.395	3.120	20	5		CGBDLP
C[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC001579414537	962627972	/nfs/dbraw/zinc/62/79/72/962627972.db2.gz	IQEXVOSLKGATQS-TZMCWYRMSA-N	2	2	293.411	3.399	20	5		CGBDLP
C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000423404220	287039410	/nfs/dbraw/zinc/03/94/10/287039410.db2.gz	ZNDVGQDQRPULPD-IUODEOHRSA-N	2	2	291.395	3.024	20	5		CGBDLP
CCC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000423567091	529019655	/nfs/dbraw/zinc/01/96/55/529019655.db2.gz	URLKRPTVRJMQGC-GDBMZVCRSA-N	2	2	291.395	3.168	20	5		CGBDLP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC[NH+]1CCCC1	ZINC000281217647	379823491	/nfs/dbraw/zinc/82/34/91/379823491.db2.gz	DQAANMSCDXQALV-AWEZNQCLSA-N	2	2	291.395	3.074	20	5		CGBDLP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC[NH+]1CCCC1	ZINC000281217647	379823494	/nfs/dbraw/zinc/82/34/94/379823494.db2.gz	DQAANMSCDXQALV-AWEZNQCLSA-N	2	2	291.395	3.074	20	5		CGBDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000532203398	288355546	/nfs/dbraw/zinc/35/55/46/288355546.db2.gz	RWIGLZIHKDWHAL-HIFRSBDPSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000532203398	288355548	/nfs/dbraw/zinc/35/55/48/288355548.db2.gz	RWIGLZIHKDWHAL-HIFRSBDPSA-N	2	2	291.395	3.038	20	5		CGBDLP
C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1	ZINC000423384028	533886574	/nfs/dbraw/zinc/88/65/74/533886574.db2.gz	JRGBJPGBWSHZMK-WFASDCNBSA-N	2	2	291.395	3.024	20	5		CGBDLP
C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053964	347270842	/nfs/dbraw/zinc/27/08/42/347270842.db2.gz	KQBNQDBTPWSLJQ-DOMZBBRYSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053964	347270844	/nfs/dbraw/zinc/27/08/44/347270844.db2.gz	KQBNQDBTPWSLJQ-DOMZBBRYSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC(C)[N@H+](C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000225586521	376316154	/nfs/dbraw/zinc/31/61/54/376316154.db2.gz	WEVWMFHLTXPENO-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
CC(C)[N@@H+](C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000225586521	376316161	/nfs/dbraw/zinc/31/61/61/376316161.db2.gz	WEVWMFHLTXPENO-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
Cc1ccc(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])c[nH+]1	ZINC000353932455	380242623	/nfs/dbraw/zinc/24/26/23/380242623.db2.gz	SLWORQDZRSGXKC-UHFFFAOYSA-N	2	2	285.347	3.021	20	5		CGBDLP
CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000108370329	392342524	/nfs/dbraw/zinc/34/25/24/392342524.db2.gz	UAEJDBGENCVTLD-ZDUSSCGKSA-N	2	2	291.395	3.118	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000090846836	345795999	/nfs/dbraw/zinc/79/59/99/345795999.db2.gz	JSEDIEBHEXGXPS-ZDUSSCGKSA-N	2	2	285.347	3.192	20	5		CGBDLP
CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801869	288088118	/nfs/dbraw/zinc/08/81/18/288088118.db2.gz	CNHHTOLAQIDWII-KCXAZCMYSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801869	288088121	/nfs/dbraw/zinc/08/81/21/288088121.db2.gz	CNHHTOLAQIDWII-KCXAZCMYSA-N	2	2	291.395	3.118	20	5		CGBDLP
CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000423298272	528823200	/nfs/dbraw/zinc/82/32/00/528823200.db2.gz	NVGAFZMJLOFZSN-OCCSQVGLSA-N	2	2	279.384	3.071	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[NH2+][C@H]1CC[NH2+]C1	ZINC000841044823	620543271	/nfs/dbraw/zinc/54/32/71/620543271.db2.gz	JIHKWAARZMEUNT-INIZCTEOSA-N	2	2	276.383	3.445	20	5		CGBDLP
CCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1	ZINC000591578101	346929794	/nfs/dbraw/zinc/92/97/94/346929794.db2.gz	YYRKGQBVSISUNS-HOCLYGCPSA-N	2	2	291.395	3.168	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000090846620	345795478	/nfs/dbraw/zinc/79/54/78/345795478.db2.gz	QCSKNKNBBHHFGH-CYBMUJFWSA-N	2	2	285.347	3.192	20	5		CGBDLP
Cc1ccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c[nH+]1	ZINC000354547903	380481639	/nfs/dbraw/zinc/48/16/39/380481639.db2.gz	UEEQURMLPDZHBR-UHFFFAOYSA-N	2	2	285.347	3.021	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000348014413	378753580	/nfs/dbraw/zinc/75/35/80/378753580.db2.gz	MXENHGKWSVKOSZ-UHFFFAOYSA-N	2	2	299.374	3.063	20	5		CGBDLP
CC(C)C[C@@H]([NH3+])C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000414688177	393052066	/nfs/dbraw/zinc/05/20/66/393052066.db2.gz	IVRNDIATNGHVPK-OAHLLOKOSA-N	2	2	293.411	3.179	20	5		CGBDLP
CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000414688177	393052076	/nfs/dbraw/zinc/05/20/76/393052076.db2.gz	IVRNDIATNGHVPK-OAHLLOKOSA-N	2	2	293.411	3.179	20	5		CGBDLP
C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000423404223	393665176	/nfs/dbraw/zinc/66/51/76/393665176.db2.gz	ZNDVGQDQRPULPD-WFASDCNBSA-N	2	2	291.395	3.024	20	5		CGBDLP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277215789	287152597	/nfs/dbraw/zinc/15/25/97/287152597.db2.gz	NOGOBPLFBXQMSD-UONOGXRCSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277215789	287152598	/nfs/dbraw/zinc/15/25/98/287152598.db2.gz	NOGOBPLFBXQMSD-UONOGXRCSA-N	2	2	291.395	3.072	20	5		CGBDLP
CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000423294696	528823737	/nfs/dbraw/zinc/82/37/37/528823737.db2.gz	CSTDHIVGUAZQHD-OLZOCXBDSA-N	2	2	279.384	3.071	20	5		CGBDLP
CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584674	529012648	/nfs/dbraw/zinc/01/26/48/529012648.db2.gz	PIEKYCKDVJAROB-HZPDHXFCSA-N	2	2	291.395	3.120	20	5		CGBDLP
CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584674	529012652	/nfs/dbraw/zinc/01/26/52/529012652.db2.gz	PIEKYCKDVJAROB-HZPDHXFCSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000128455198	636009635	/nfs/dbraw/zinc/00/96/35/636009635.db2.gz	MPSHNAAIWSJKQX-ZDUSSCGKSA-N	2	2	299.802	3.053	20	5		CGBDLP
CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000128455198	636009640	/nfs/dbraw/zinc/00/96/40/636009640.db2.gz	MPSHNAAIWSJKQX-ZDUSSCGKSA-N	2	2	299.802	3.053	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@H]2C[NH2+][C@@H]2C1	ZINC001236281491	819413260	/nfs/dbraw/zinc/41/32/60/819413260.db2.gz	HHQHHIUWIKBKFQ-OXQOHEQNSA-N	2	2	288.394	3.397	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@H]2C[NH2+][C@@H]2C1	ZINC001236281491	819413264	/nfs/dbraw/zinc/41/32/64/819413264.db2.gz	HHQHHIUWIKBKFQ-OXQOHEQNSA-N	2	2	288.394	3.397	20	5		CGBDLP
Cc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1[N+](=O)[O-]	ZINC000090846716	345795247	/nfs/dbraw/zinc/79/52/47/345795247.db2.gz	OPICODRCHFNCHM-AWEZNQCLSA-N	2	2	299.374	3.500	20	5		CGBDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000248536115	377338871	/nfs/dbraw/zinc/33/88/71/377338871.db2.gz	ZWWVKQMWDQDUAN-UKRRQHHQSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000248536115	377338878	/nfs/dbraw/zinc/33/88/78/377338878.db2.gz	ZWWVKQMWDQDUAN-UKRRQHHQSA-N	2	2	291.395	3.038	20	5		CGBDLP
C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053966	347270885	/nfs/dbraw/zinc/27/08/85/347270885.db2.gz	KQBNQDBTPWSLJQ-SWLSCSKDSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053966	347270888	/nfs/dbraw/zinc/27/08/88/347270888.db2.gz	KQBNQDBTPWSLJQ-SWLSCSKDSA-N	2	2	291.395	3.118	20	5		CGBDLP
CCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000423567094	283936400	/nfs/dbraw/zinc/93/64/00/283936400.db2.gz	URLKRPTVRJMQGC-ZBFHGGJFSA-N	2	2	291.395	3.168	20	5		CGBDLP
CC(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000581831890	336149234	/nfs/dbraw/zinc/14/92/34/336149234.db2.gz	AHSGZPICZIMCNL-JSGCOSHPSA-N	2	2	291.395	3.030	20	5		CGBDLP
CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000581831890	336149235	/nfs/dbraw/zinc/14/92/35/336149235.db2.gz	AHSGZPICZIMCNL-JSGCOSHPSA-N	2	2	291.395	3.030	20	5		CGBDLP
C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000594725809	347214051	/nfs/dbraw/zinc/21/40/51/347214051.db2.gz	XTMBMBALHMSCFJ-SWLSCSKDSA-N	2	2	291.395	3.118	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000568505052	322211605	/nfs/dbraw/zinc/21/16/05/322211605.db2.gz	IDEGTXIQMVEHNB-UHFFFAOYSA-N	2	2	299.374	3.366	20	5		CGBDLP
CCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1	ZINC000591578099	346929818	/nfs/dbraw/zinc/92/98/18/346929818.db2.gz	YYRKGQBVSISUNS-GDBMZVCRSA-N	2	2	291.395	3.168	20	5		CGBDLP
C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000423404218	533424453	/nfs/dbraw/zinc/42/44/53/533424453.db2.gz	ZNDVGQDQRPULPD-DOMZBBRYSA-N	2	2	291.395	3.024	20	5		CGBDLP
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+]	ZINC000423451395	533515580	/nfs/dbraw/zinc/51/55/80/533515580.db2.gz	UXGWWBOTRDBJTO-AHIWAGSCSA-N	2	2	299.374	3.010	20	5		CGBDLP
CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000226392026	622965979	/nfs/dbraw/zinc/96/59/79/622965979.db2.gz	OLYJKXRTSDRDFQ-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000226392026	622965990	/nfs/dbraw/zinc/96/59/90/622965990.db2.gz	OLYJKXRTSDRDFQ-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000156570311	371984748	/nfs/dbraw/zinc/98/47/48/371984748.db2.gz	RWIGLZIHKDWHAL-DZGCQCFKSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000156570311	371984754	/nfs/dbraw/zinc/98/47/54/371984754.db2.gz	RWIGLZIHKDWHAL-DZGCQCFKSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1	ZINC000159292017	372127223	/nfs/dbraw/zinc/12/72/23/372127223.db2.gz	UDMHKMJYQNYOTA-CYBMUJFWSA-N	2	2	291.395	3.038	20	5		CGBDLP
CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584582	528225190	/nfs/dbraw/zinc/22/51/90/528225190.db2.gz	PIEKYCKDVJAROB-CVEARBPZSA-N	2	2	291.395	3.120	20	5		CGBDLP
CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584582	528225198	/nfs/dbraw/zinc/22/51/98/528225198.db2.gz	PIEKYCKDVJAROB-CVEARBPZSA-N	2	2	291.395	3.120	20	5		CGBDLP
CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000423294698	528822157	/nfs/dbraw/zinc/82/21/57/528822157.db2.gz	CSTDHIVGUAZQHD-STQMWFEESA-N	2	2	279.384	3.071	20	5		CGBDLP
CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000072606002	345414044	/nfs/dbraw/zinc/41/40/44/345414044.db2.gz	ADNIDUHHIBVJTL-ZDUSSCGKSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277214455	379100153	/nfs/dbraw/zinc/10/01/53/379100153.db2.gz	NOGOBPLFBXQMSD-KGLIPLIRSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277214455	379100165	/nfs/dbraw/zinc/10/01/65/379100165.db2.gz	NOGOBPLFBXQMSD-KGLIPLIRSA-N	2	2	291.395	3.072	20	5		CGBDLP
CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801871	288088193	/nfs/dbraw/zinc/08/81/93/288088193.db2.gz	CNHHTOLAQIDWII-RCBQFDQVSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801871	288088194	/nfs/dbraw/zinc/08/81/94/288088194.db2.gz	CNHHTOLAQIDWII-RCBQFDQVSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000581831891	336149254	/nfs/dbraw/zinc/14/92/54/336149254.db2.gz	AHSGZPICZIMCNL-OCCSQVGLSA-N	2	2	291.395	3.030	20	5		CGBDLP
CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000581831891	336149255	/nfs/dbraw/zinc/14/92/55/336149255.db2.gz	AHSGZPICZIMCNL-OCCSQVGLSA-N	2	2	291.395	3.030	20	5		CGBDLP
Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-]	ZINC000873253164	634302597	/nfs/dbraw/zinc/30/25/97/634302597.db2.gz	URGOHPCVPYSPIO-JKSUJKDBSA-N	2	2	297.358	3.138	20	5		CGBDLP
C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728608	191295724	/nfs/dbraw/zinc/29/57/24/191295724.db2.gz	MOOMDJJVOCPHSY-UONOGXRCSA-N	2	2	291.395	3.120	20	5		CGBDLP
C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728608	191295727	/nfs/dbraw/zinc/29/57/27/191295727.db2.gz	MOOMDJJVOCPHSY-UONOGXRCSA-N	2	2	291.395	3.120	20	5		CGBDLP
C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000594725806	347214401	/nfs/dbraw/zinc/21/44/01/347214401.db2.gz	XTMBMBALHMSCFJ-IUODEOHRSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC(C)([NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423287836	527257825	/nfs/dbraw/zinc/25/78/25/527257825.db2.gz	OULDVPFHVCXAQD-INIZCTEOSA-N	2	2	299.374	3.011	20	5		CGBDLP
Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-]	ZINC000873253162	634302228	/nfs/dbraw/zinc/30/22/28/634302228.db2.gz	URGOHPCVPYSPIO-HOTGVXAUSA-N	2	2	297.358	3.138	20	5		CGBDLP
CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423250763	529619131	/nfs/dbraw/zinc/61/91/31/529619131.db2.gz	VGLBWFUONNNFSY-IRXDYDNUSA-N	2	2	299.374	3.336	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[NH+]1CC2(C[NH2+]C2)C1	ZINC001222465500	816451710	/nfs/dbraw/zinc/45/17/10/816451710.db2.gz	SMDCGDSPERXEGA-UHFFFAOYSA-N	2	2	288.394	3.398	20	5		CGBDLP
CC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1	ZINC000159291881	372127491	/nfs/dbraw/zinc/12/74/91/372127491.db2.gz	UDMHKMJYQNYOTA-ZDUSSCGKSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000581831892	336149179	/nfs/dbraw/zinc/14/91/79/336149179.db2.gz	AHSGZPICZIMCNL-TZMCWYRMSA-N	2	2	291.395	3.030	20	5		CGBDLP
CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000581831892	336149180	/nfs/dbraw/zinc/14/91/80/336149180.db2.gz	AHSGZPICZIMCNL-TZMCWYRMSA-N	2	2	291.395	3.030	20	5		CGBDLP
C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000925827064	638623710	/nfs/dbraw/zinc/62/37/10/638623710.db2.gz	QONVDXKQFRAWPW-NVGVWMPQSA-N	2	2	297.358	3.390	20	5		CGBDLP
CC(C)c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-]	ZINC000592431570	346985884	/nfs/dbraw/zinc/98/58/84/346985884.db2.gz	JRILYRYRCDITBS-UHFFFAOYSA-N	2	2	291.395	3.031	20	5		CGBDLP
CCC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000423567092	372074761	/nfs/dbraw/zinc/07/47/61/372074761.db2.gz	URLKRPTVRJMQGC-GOEBONIOSA-N	2	2	291.395	3.168	20	5		CGBDLP
CC[NH+](CC)CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1	ZINC000349379179	379257698	/nfs/dbraw/zinc/25/76/98/379257698.db2.gz	ARXFXUJBDGDWLJ-UHFFFAOYSA-N	2	2	293.411	3.149	20	5		CGBDLP
CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1	ZINC000349379179	379257705	/nfs/dbraw/zinc/25/77/05/379257705.db2.gz	ARXFXUJBDGDWLJ-UHFFFAOYSA-N	2	2	293.411	3.149	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-]	ZINC000423017001	279525723	/nfs/dbraw/zinc/52/57/23/279525723.db2.gz	NTPAFOGNHKOGKX-IUIKQTSFSA-N	2	2	297.358	3.390	20	5		CGBDLP
CCC[C@@H]([NH2+]C[C@@H](C)[NH2+]CC)c1cccc([N+](=O)[O-])c1	ZINC000423389543	529009871	/nfs/dbraw/zinc/00/98/71/529009871.db2.gz	VCQILOASIUUJIA-IUODEOHRSA-N	2	2	279.384	3.024	20	5		CGBDLP
CC[N@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000809749215	630799549	/nfs/dbraw/zinc/79/95/49/630799549.db2.gz	CWBOBTHGMKOGEY-UHFFFAOYSA-N	2	2	299.802	3.022	20	5		CGBDLP
CC[N@@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000809749215	630799551	/nfs/dbraw/zinc/79/95/51/630799551.db2.gz	CWBOBTHGMKOGEY-UHFFFAOYSA-N	2	2	299.802	3.022	20	5		CGBDLP
Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-]	ZINC000873253159	634302032	/nfs/dbraw/zinc/30/20/32/634302032.db2.gz	URGOHPCVPYSPIO-CVEARBPZSA-N	2	2	297.358	3.138	20	5		CGBDLP
Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-]	ZINC000873253163	634302728	/nfs/dbraw/zinc/30/27/28/634302728.db2.gz	URGOHPCVPYSPIO-HZPDHXFCSA-N	2	2	297.358	3.138	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@@H]2C[NH2+][C@@H]2C1	ZINC001236281490	819412627	/nfs/dbraw/zinc/41/26/27/819412627.db2.gz	HHQHHIUWIKBKFQ-OXJNMPFZSA-N	2	2	288.394	3.397	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@@H]2C[NH2+][C@@H]2C1	ZINC001236281490	819412631	/nfs/dbraw/zinc/41/26/31/819412631.db2.gz	HHQHHIUWIKBKFQ-OXJNMPFZSA-N	2	2	288.394	3.397	20	5		CGBDLP
CCC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000423371955	528238345	/nfs/dbraw/zinc/23/83/45/528238345.db2.gz	VPTWYNDEVQJDOB-UHOFOFEASA-N	2	2	291.395	3.024	20	5		CGBDLP
CCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000423567093	528240027	/nfs/dbraw/zinc/24/00/27/528240027.db2.gz	URLKRPTVRJMQGC-HOCLYGCPSA-N	2	2	291.395	3.168	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000090846837	345795964	/nfs/dbraw/zinc/79/59/64/345795964.db2.gz	JSEDIEBHEXGXPS-CYBMUJFWSA-N	2	2	285.347	3.192	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975222	347703027	/nfs/dbraw/zinc/70/30/27/347703027.db2.gz	UEKDYXXCMBWZKU-QWHCGFSZSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975222	347703031	/nfs/dbraw/zinc/70/30/31/347703031.db2.gz	UEKDYXXCMBWZKU-QWHCGFSZSA-N	2	2	291.395	3.118	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-]	ZINC000346798757	218017601	/nfs/dbraw/zinc/01/76/01/218017601.db2.gz	NKYJPOCDPKZEIY-YDHLFZDLSA-N	2	2	291.395	3.037	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-]	ZINC000346798757	218017602	/nfs/dbraw/zinc/01/76/02/218017602.db2.gz	NKYJPOCDPKZEIY-YDHLFZDLSA-N	2	2	291.395	3.037	20	5		CGBDLP
CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000020526251	391940163	/nfs/dbraw/zinc/94/01/63/391940163.db2.gz	VYUDNSZMAFGFEV-CYBMUJFWSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423250762	529174269	/nfs/dbraw/zinc/17/42/69/529174269.db2.gz	VGLBWFUONNNFSY-IAGOWNOFSA-N	2	2	299.374	3.336	20	5		CGBDLP
Cc1c(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-]	ZINC000261981954	619510555	/nfs/dbraw/zinc/51/05/55/619510555.db2.gz	ALRLJUJERMLONJ-CVEARBPZSA-N	2	2	297.358	3.138	20	5		CGBDLP
CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000128455016	636009750	/nfs/dbraw/zinc/00/97/50/636009750.db2.gz	MPSHNAAIWSJKQX-CYBMUJFWSA-N	2	2	299.802	3.053	20	5		CGBDLP
CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000128455016	636009751	/nfs/dbraw/zinc/00/97/51/636009751.db2.gz	MPSHNAAIWSJKQX-CYBMUJFWSA-N	2	2	299.802	3.053	20	5		CGBDLP
CCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1	ZINC000591578100	346930067	/nfs/dbraw/zinc/93/00/67/346930067.db2.gz	YYRKGQBVSISUNS-GOEBONIOSA-N	2	2	291.395	3.168	20	5		CGBDLP
C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423451398	236074146	/nfs/dbraw/zinc/07/41/46/236074146.db2.gz	UXGWWBOTRDBJTO-GDZNZVCISA-N	2	2	299.374	3.010	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000262383747	377896459	/nfs/dbraw/zinc/89/64/59/377896459.db2.gz	YZYIBYPLADSBQY-YMRXKLBXSA-N	2	2	297.358	3.390	20	5		CGBDLP
C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1	ZINC000423384021	533437435	/nfs/dbraw/zinc/43/74/35/533437435.db2.gz	JRGBJPGBWSHZMK-IUODEOHRSA-N	2	2	291.395	3.024	20	5		CGBDLP
CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000218988026	618706184	/nfs/dbraw/zinc/70/61/84/618706184.db2.gz	SMJGQHGZXSNTQD-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000218988026	618706189	/nfs/dbraw/zinc/70/61/89/618706189.db2.gz	SMJGQHGZXSNTQD-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
Cc1ccc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c[nH+]1	ZINC000355184549	380614946	/nfs/dbraw/zinc/61/49/46/380614946.db2.gz	WWRJFEIXABVIEF-UHFFFAOYSA-N	2	2	299.374	3.329	20	5		CGBDLP
C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000423404221	393665756	/nfs/dbraw/zinc/66/57/56/393665756.db2.gz	ZNDVGQDQRPULPD-SWLSCSKDSA-N	2	2	291.395	3.024	20	5		CGBDLP
CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000600712150	347829984	/nfs/dbraw/zinc/82/99/84/347829984.db2.gz	XBDVXEPUHNODFL-NOLJZWGESA-N	2	2	291.395	3.166	20	5		CGBDLP
CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1	ZINC000600712739	347830004	/nfs/dbraw/zinc/83/00/04/347830004.db2.gz	XQYRTRTWCSMRGI-ARFHVFGLSA-N	2	2	291.395	3.166	20	5		CGBDLP
CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000600712147	347830053	/nfs/dbraw/zinc/83/00/53/347830053.db2.gz	XBDVXEPUHNODFL-BJJXKVORSA-N	2	2	291.395	3.166	20	5		CGBDLP
C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423451396	236074594	/nfs/dbraw/zinc/07/45/94/236074594.db2.gz	UXGWWBOTRDBJTO-DCGLDWPTSA-N	2	2	299.374	3.010	20	5		CGBDLP
CCC[C@H]([NH2+]C[C@@H](C)[NH2+]CC)c1cccc([N+](=O)[O-])c1	ZINC000423389540	528221903	/nfs/dbraw/zinc/22/19/03/528221903.db2.gz	VCQILOASIUUJIA-DOMZBBRYSA-N	2	2	279.384	3.024	20	5		CGBDLP
C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000925827065	638624599	/nfs/dbraw/zinc/62/45/99/638624599.db2.gz	QONVDXKQFRAWPW-SSKCKEOISA-N	2	2	297.358	3.390	20	5		CGBDLP
CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000600712151	347830126	/nfs/dbraw/zinc/83/01/26/347830126.db2.gz	XBDVXEPUHNODFL-XPKDYRNWSA-N	2	2	291.395	3.166	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000423146924	290031539	/nfs/dbraw/zinc/03/15/39/290031539.db2.gz	QONVDXKQFRAWPW-MZPVMMEZSA-N	2	2	297.358	3.390	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-]	ZINC000573107513	322370876	/nfs/dbraw/zinc/37/08/76/322370876.db2.gz	WNOOMBWDHWRQOT-MRXNPFEDSA-N	2	2	297.358	3.118	20	5		CGBDLP
CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000072606004	345414295	/nfs/dbraw/zinc/41/42/95/345414295.db2.gz	ADNIDUHHIBVJTL-CYBMUJFWSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975220	347703040	/nfs/dbraw/zinc/70/30/40/347703040.db2.gz	UEKDYXXCMBWZKU-OLZOCXBDSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975220	347703043	/nfs/dbraw/zinc/70/30/43/347703043.db2.gz	UEKDYXXCMBWZKU-OLZOCXBDSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000020526187	171239022	/nfs/dbraw/zinc/23/90/22/171239022.db2.gz	SFCOGSJCJLCCIG-AWEZNQCLSA-N	2	2	291.395	3.121	20	5		CGBDLP
Cc1c(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-]	ZINC000261981957	619510664	/nfs/dbraw/zinc/51/06/64/619510664.db2.gz	ALRLJUJERMLONJ-HOTGVXAUSA-N	2	2	297.358	3.138	20	5		CGBDLP
CCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1	ZINC000591578102	346930245	/nfs/dbraw/zinc/93/02/45/346930245.db2.gz	YYRKGQBVSISUNS-ZBFHGGJFSA-N	2	2	291.395	3.168	20	5		CGBDLP
C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC000594725816	347214306	/nfs/dbraw/zinc/21/43/06/347214306.db2.gz	XTMBMBALHMSCFJ-WFASDCNBSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC(C)(C)[NH+]1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1	ZINC000037786490	369113071	/nfs/dbraw/zinc/11/30/71/369113071.db2.gz	ALULCNZQAYFZHG-UHFFFAOYSA-N	2	2	297.424	3.009	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000289973826	371867102	/nfs/dbraw/zinc/86/71/02/371867102.db2.gz	BWGHXAAKXFBHSN-UHFFFAOYSA-N	2	2	285.347	3.021	20	5		CGBDLP
Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-]	ZINC000423243014	533943130	/nfs/dbraw/zinc/94/31/30/533943130.db2.gz	MNJOONDSKAGNPO-CZUORRHYSA-N	2	2	299.374	3.254	20	5		CGBDLP
CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1	ZINC000600712148	347829991	/nfs/dbraw/zinc/82/99/91/347829991.db2.gz	XBDVXEPUHNODFL-INWMFGNUSA-N	2	2	291.395	3.166	20	5		CGBDLP
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC[NH+]1CCCC1	ZINC000281217651	379824044	/nfs/dbraw/zinc/82/40/44/379824044.db2.gz	DQAANMSCDXQALV-CQSZACIVSA-N	2	2	291.395	3.074	20	5		CGBDLP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC[NH+]1CCCC1	ZINC000281217651	379824050	/nfs/dbraw/zinc/82/40/50/379824050.db2.gz	DQAANMSCDXQALV-CQSZACIVSA-N	2	2	291.395	3.074	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-]	ZINC000423017003	290031560	/nfs/dbraw/zinc/03/15/60/290031560.db2.gz	NTPAFOGNHKOGKX-KNXALSJPSA-N	2	2	297.358	3.390	20	5		CGBDLP
CCC[NH2+]CC[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1	ZINC000423313068	528514876	/nfs/dbraw/zinc/51/48/76/528514876.db2.gz	TYZDBNXZQUSDBO-HNNXBMFYSA-N	2	2	279.384	3.025	20	5		CGBDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000156570715	276187832	/nfs/dbraw/zinc/18/78/32/276187832.db2.gz	RIZXHGOZSJXLHS-KBPBESRZSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000156570715	276187833	/nfs/dbraw/zinc/18/78/33/276187833.db2.gz	RIZXHGOZSJXLHS-KBPBESRZSA-N	2	2	291.395	3.038	20	5		CGBDLP
Cc1c(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-]	ZINC000261981959	619510430	/nfs/dbraw/zinc/51/04/30/619510430.db2.gz	ALRLJUJERMLONJ-JKSUJKDBSA-N	2	2	297.358	3.138	20	5		CGBDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000156570441	371985190	/nfs/dbraw/zinc/98/51/90/371985190.db2.gz	RWIGLZIHKDWHAL-ZFWWWQNUSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000156570441	371985197	/nfs/dbraw/zinc/98/51/97/371985197.db2.gz	RWIGLZIHKDWHAL-ZFWWWQNUSA-N	2	2	291.395	3.038	20	5		CGBDLP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277303413	379124081	/nfs/dbraw/zinc/12/40/81/379124081.db2.gz	UIWOUCAZNDEWOC-DZGCQCFKSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277303413	379124093	/nfs/dbraw/zinc/12/40/93/379124093.db2.gz	UIWOUCAZNDEWOC-DZGCQCFKSA-N	2	2	291.395	3.072	20	5		CGBDLP
CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584434	528222965	/nfs/dbraw/zinc/22/29/65/528222965.db2.gz	PIEKYCKDVJAROB-HOTGVXAUSA-N	2	2	291.395	3.120	20	5		CGBDLP
CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1	ZINC000154584434	528222968	/nfs/dbraw/zinc/22/29/68/528222968.db2.gz	PIEKYCKDVJAROB-HOTGVXAUSA-N	2	2	291.395	3.120	20	5		CGBDLP
Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-]	ZINC000423243010	236007602	/nfs/dbraw/zinc/00/76/02/236007602.db2.gz	MNJOONDSKAGNPO-BBRMVZONSA-N	2	2	299.374	3.254	20	5		CGBDLP
Cc1ccc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c[nH+]1	ZINC000354354717	380411184	/nfs/dbraw/zinc/41/11/84/380411184.db2.gz	YQBHUVDKGOMKJW-UHFFFAOYSA-N	2	2	299.374	3.063	20	5		CGBDLP
Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-]	ZINC000423243012	236007652	/nfs/dbraw/zinc/00/76/52/236007652.db2.gz	MNJOONDSKAGNPO-CJNGLKHVSA-N	2	2	299.374	3.254	20	5		CGBDLP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277303423	379123807	/nfs/dbraw/zinc/12/38/07/379123807.db2.gz	UIWOUCAZNDEWOC-ZFWWWQNUSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277303423	379123819	/nfs/dbraw/zinc/12/38/19/379123819.db2.gz	UIWOUCAZNDEWOC-ZFWWWQNUSA-N	2	2	291.395	3.072	20	5		CGBDLP
Cc1ccc(CCC[NH2+]CCc2ccccc2[N+](=O)[O-])c[nH+]1	ZINC000354484796	380456205	/nfs/dbraw/zinc/45/62/05/380456205.db2.gz	XHHMHGLCUCTRBO-UHFFFAOYSA-N	2	2	299.374	3.063	20	5		CGBDLP
CCC[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000020127092	171012143	/nfs/dbraw/zinc/01/21/43/171012143.db2.gz	HGCCAVIWAMYHEN-MRXNPFEDSA-N	2	2	291.395	3.121	20	5		CGBDLP
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C	ZINC000539044047	376286474	/nfs/dbraw/zinc/28/64/74/376286474.db2.gz	ICWDDHWZTNUTQJ-AWEZNQCLSA-N	2	2	299.374	3.500	20	5		CGBDLP
CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000581831889	336149141	/nfs/dbraw/zinc/14/91/41/336149141.db2.gz	AHSGZPICZIMCNL-GXTWGEPZSA-N	2	2	291.395	3.030	20	5		CGBDLP
CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-]	ZINC000581831889	336149143	/nfs/dbraw/zinc/14/91/43/336149143.db2.gz	AHSGZPICZIMCNL-GXTWGEPZSA-N	2	2	291.395	3.030	20	5		CGBDLP
CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423250761	529178837	/nfs/dbraw/zinc/17/88/37/529178837.db2.gz	VGLBWFUONNNFSY-DLBZAZTESA-N	2	2	299.374	3.336	20	5		CGBDLP
Cc1c(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-]	ZINC000261981958	619510780	/nfs/dbraw/zinc/51/07/80/619510780.db2.gz	ALRLJUJERMLONJ-HZPDHXFCSA-N	2	2	297.358	3.138	20	5		CGBDLP
CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000156774017	519796314	/nfs/dbraw/zinc/79/63/14/519796314.db2.gz	SBODKTLPWLTMMG-AWEZNQCLSA-N	2	2	299.802	3.053	20	5		CGBDLP
CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000156774017	519796315	/nfs/dbraw/zinc/79/63/15/519796315.db2.gz	SBODKTLPWLTMMG-AWEZNQCLSA-N	2	2	299.802	3.053	20	5		CGBDLP
CC[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423461694	529453629	/nfs/dbraw/zinc/45/36/29/529453629.db2.gz	KDPLFJHMJUNCJX-RDJZCZTQSA-N	2	2	299.374	3.011	20	5		CGBDLP
Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-]	ZINC000423234322	236004479	/nfs/dbraw/zinc/00/44/79/236004479.db2.gz	FOGQDHADDXTUCJ-CJNGLKHVSA-N	2	2	299.374	3.254	20	5		CGBDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000248536114	377337881	/nfs/dbraw/zinc/33/78/81/377337881.db2.gz	ZWWVKQMWDQDUAN-HIFRSBDPSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000248536114	377337882	/nfs/dbraw/zinc/33/78/82/377337882.db2.gz	ZWWVKQMWDQDUAN-HIFRSBDPSA-N	2	2	291.395	3.038	20	5		CGBDLP
CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000414816348	380427745	/nfs/dbraw/zinc/42/77/45/380427745.db2.gz	PNNKNSUILZPYAB-AWEZNQCLSA-N	2	2	293.411	3.325	20	5		CGBDLP
CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721109	391977100	/nfs/dbraw/zinc/97/71/00/391977100.db2.gz	XAOGTAARJYYFEG-HOTGVXAUSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721109	391977104	/nfs/dbraw/zinc/97/71/04/391977104.db2.gz	XAOGTAARJYYFEG-HOTGVXAUSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000156773900	392549551	/nfs/dbraw/zinc/54/95/51/392549551.db2.gz	SBODKTLPWLTMMG-CQSZACIVSA-N	2	2	299.802	3.053	20	5		CGBDLP
CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000156773900	392549557	/nfs/dbraw/zinc/54/95/57/392549557.db2.gz	SBODKTLPWLTMMG-CQSZACIVSA-N	2	2	299.802	3.053	20	5		CGBDLP
CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000423298271	528819974	/nfs/dbraw/zinc/81/99/74/528819974.db2.gz	NVGAFZMJLOFZSN-JSGCOSHPSA-N	2	2	279.384	3.071	20	5		CGBDLP
C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053965	347271027	/nfs/dbraw/zinc/27/10/27/347271027.db2.gz	KQBNQDBTPWSLJQ-IUODEOHRSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053965	347271028	/nfs/dbraw/zinc/27/10/28/347271028.db2.gz	KQBNQDBTPWSLJQ-IUODEOHRSA-N	2	2	291.395	3.118	20	5		CGBDLP
Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-]	ZINC000423243016	236007630	/nfs/dbraw/zinc/00/76/30/236007630.db2.gz	MNJOONDSKAGNPO-XJKSGUPXSA-N	2	2	299.374	3.254	20	5		CGBDLP
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C	ZINC000539044051	376286851	/nfs/dbraw/zinc/28/68/51/376286851.db2.gz	ICWDDHWZTNUTQJ-CQSZACIVSA-N	2	2	299.374	3.500	20	5		CGBDLP
CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000020526253	276258079	/nfs/dbraw/zinc/25/80/79/276258079.db2.gz	BYOQVWOFVCRFJB-CYBMUJFWSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC[NH+](CC)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000084439661	640606818	/nfs/dbraw/zinc/60/68/18/640606818.db2.gz	PAWWZVGETWADNF-UHFFFAOYSA-N	2	2	299.802	3.070	20	5		CGBDLP
CC(C)[NH2+]C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000108370331	392342181	/nfs/dbraw/zinc/34/21/81/392342181.db2.gz	UAEJDBGENCVTLD-CYBMUJFWSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000532203399	288355554	/nfs/dbraw/zinc/35/55/54/288355554.db2.gz	RWIGLZIHKDWHAL-UKRRQHHQSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C	ZINC000532203399	288355555	/nfs/dbraw/zinc/35/55/55/288355555.db2.gz	RWIGLZIHKDWHAL-UKRRQHHQSA-N	2	2	291.395	3.038	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000090846619	345795606	/nfs/dbraw/zinc/79/56/06/345795606.db2.gz	QCSKNKNBBHHFGH-ZDUSSCGKSA-N	2	2	285.347	3.192	20	5		CGBDLP
CCCC[NH+]1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1	ZINC000037563116	369089269	/nfs/dbraw/zinc/08/92/69/369089269.db2.gz	JWKVABGHTINKHF-UHFFFAOYSA-N	2	2	297.424	3.010	20	5		CGBDLP
C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277215793	379100766	/nfs/dbraw/zinc/10/07/66/379100766.db2.gz	NOGOBPLFBXQMSD-ZIAGYGMSSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277215793	379100773	/nfs/dbraw/zinc/10/07/73/379100773.db2.gz	NOGOBPLFBXQMSD-ZIAGYGMSSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277303416	379125411	/nfs/dbraw/zinc/12/54/11/379125411.db2.gz	UIWOUCAZNDEWOC-HIFRSBDPSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277303416	379125415	/nfs/dbraw/zinc/12/54/15/379125415.db2.gz	UIWOUCAZNDEWOC-HIFRSBDPSA-N	2	2	291.395	3.072	20	5		CGBDLP
CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423250764	529611701	/nfs/dbraw/zinc/61/17/01/529611701.db2.gz	VGLBWFUONNNFSY-SJORKVTESA-N	2	2	299.374	3.336	20	5		CGBDLP
Cc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1[N+](=O)[O-]	ZINC000090846715	345795628	/nfs/dbraw/zinc/79/56/28/345795628.db2.gz	OPICODRCHFNCHM-CQSZACIVSA-N	2	2	299.374	3.500	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000090847431	345796303	/nfs/dbraw/zinc/79/63/03/345796303.db2.gz	QCDBBXCYYUPLGV-CYBMUJFWSA-N	2	2	285.347	3.192	20	5		CGBDLP
C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000262383741	377896566	/nfs/dbraw/zinc/89/65/66/377896566.db2.gz	YZYIBYPLADSBQY-JECHBYEQSA-N	2	2	297.358	3.390	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cccc1[N+](=O)[O-]	ZINC000346798755	218017855	/nfs/dbraw/zinc/01/78/55/218017855.db2.gz	NKYJPOCDPKZEIY-KCQAQPDRSA-N	2	2	291.395	3.037	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-]	ZINC000346798755	218017857	/nfs/dbraw/zinc/01/78/57/218017857.db2.gz	NKYJPOCDPKZEIY-KCQAQPDRSA-N	2	2	291.395	3.037	20	5		CGBDLP
C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728607	274247687	/nfs/dbraw/zinc/24/76/87/274247687.db2.gz	MOOMDJJVOCPHSY-KGLIPLIRSA-N	2	2	291.395	3.120	20	5		CGBDLP
C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728607	274247689	/nfs/dbraw/zinc/24/76/89/274247689.db2.gz	MOOMDJJVOCPHSY-KGLIPLIRSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000128454277	138393997	/nfs/dbraw/zinc/39/39/97/138393997.db2.gz	PMAYUMQWZXUAOK-ZDUSSCGKSA-N	2	2	299.802	3.053	20	5		CGBDLP
CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000128454277	138393999	/nfs/dbraw/zinc/39/39/99/138393999.db2.gz	PMAYUMQWZXUAOK-ZDUSSCGKSA-N	2	2	299.802	3.053	20	5		CGBDLP
Cc1ccc(CCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c[nH+]1	ZINC000353441754	220085324	/nfs/dbraw/zinc/08/53/24/220085324.db2.gz	UCCJYDDXVBGOMZ-UHFFFAOYSA-N	2	2	299.374	3.363	20	5		CGBDLP
Cc1ccc(CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c[nH+]1	ZINC000353441754	220085327	/nfs/dbraw/zinc/08/53/27/220085327.db2.gz	UCCJYDDXVBGOMZ-UHFFFAOYSA-N	2	2	299.374	3.363	20	5		CGBDLP
C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1	ZINC000423384017	533424727	/nfs/dbraw/zinc/42/47/27/533424727.db2.gz	JRGBJPGBWSHZMK-DOMZBBRYSA-N	2	2	291.395	3.024	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@@H]2[NH2+]C[C@H]2C1	ZINC001236281489	819413104	/nfs/dbraw/zinc/41/31/04/819413104.db2.gz	HHQHHIUWIKBKFQ-JXFKEZNVSA-N	2	2	288.394	3.397	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@@H]2[NH2+]C[C@H]2C1	ZINC001236281489	819413107	/nfs/dbraw/zinc/41/31/07/819413107.db2.gz	HHQHHIUWIKBKFQ-JXFKEZNVSA-N	2	2	288.394	3.397	20	5		CGBDLP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277214447	379099384	/nfs/dbraw/zinc/09/93/84/379099384.db2.gz	NOGOBPLFBXQMSD-KBPBESRZSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([NH+](C)C)CC1	ZINC000277214447	379099391	/nfs/dbraw/zinc/09/93/91/379099391.db2.gz	NOGOBPLFBXQMSD-KBPBESRZSA-N	2	2	291.395	3.072	20	5		CGBDLP
CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000038098010	174111797	/nfs/dbraw/zinc/11/17/97/174111797.db2.gz	OJCUOIOSZFGUGM-CYBMUJFWSA-N	2	2	291.395	3.038	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-]	ZINC000573107511	322370868	/nfs/dbraw/zinc/37/08/68/322370868.db2.gz	WNOOMBWDHWRQOT-INIZCTEOSA-N	2	2	297.358	3.118	20	5		CGBDLP
C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000037562460	369088782	/nfs/dbraw/zinc/08/87/82/369088782.db2.gz	MMJSWOSUNPGPDW-GFCCVEGCSA-N	2	2	297.424	3.010	20	5		CGBDLP
C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000037562460	369088787	/nfs/dbraw/zinc/08/87/87/369088787.db2.gz	MMJSWOSUNPGPDW-GFCCVEGCSA-N	2	2	297.424	3.010	20	5		CGBDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000248034778	377261525	/nfs/dbraw/zinc/26/15/25/377261525.db2.gz	RIZXHGOZSJXLHS-KGLIPLIRSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000248034778	377261530	/nfs/dbraw/zinc/26/15/30/377261530.db2.gz	RIZXHGOZSJXLHS-KGLIPLIRSA-N	2	2	291.395	3.038	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000346798751	218017344	/nfs/dbraw/zinc/01/73/44/218017344.db2.gz	NKYJPOCDPKZEIY-GUTXKFCHSA-N	2	2	291.395	3.037	20	5		CGBDLP
Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000346798751	218017346	/nfs/dbraw/zinc/01/73/46/218017346.db2.gz	NKYJPOCDPKZEIY-GUTXKFCHSA-N	2	2	291.395	3.037	20	5		CGBDLP
CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000020526250	273529400	/nfs/dbraw/zinc/52/94/00/273529400.db2.gz	VYUDNSZMAFGFEV-ZDUSSCGKSA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020092020	276187215	/nfs/dbraw/zinc/18/72/15/276187215.db2.gz	ZWWVKQMWDQDUAN-ZFWWWQNUSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000020092020	276187216	/nfs/dbraw/zinc/18/72/16/276187216.db2.gz	ZWWVKQMWDQDUAN-ZFWWWQNUSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[NH+](CC)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000035368124	276325581	/nfs/dbraw/zinc/32/55/81/276325581.db2.gz	DRJZCNKGANFHFS-UHFFFAOYSA-N	2	2	299.802	3.070	20	5		CGBDLP
CC(C)c1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-]	ZINC000414778141	278035435	/nfs/dbraw/zinc/03/54/35/278035435.db2.gz	GIONYTRBFQGACO-UHFFFAOYSA-N	2	2	291.395	3.031	20	5		CGBDLP
CC(C)c1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-]	ZINC000414778141	278035436	/nfs/dbraw/zinc/03/54/36/278035436.db2.gz	GIONYTRBFQGACO-UHFFFAOYSA-N	2	2	291.395	3.031	20	5		CGBDLP
C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975218	347703130	/nfs/dbraw/zinc/70/31/30/347703130.db2.gz	UEKDYXXCMBWZKU-CHWSQXEVSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975218	347703132	/nfs/dbraw/zinc/70/31/32/347703132.db2.gz	UEKDYXXCMBWZKU-CHWSQXEVSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC[NH+]1CCCC1	ZINC000299125223	373463527	/nfs/dbraw/zinc/46/35/27/373463527.db2.gz	MSIZBBGSOCDCOU-CQSZACIVSA-N	2	2	291.395	3.074	20	5		CGBDLP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC[NH+]1CCCC1	ZINC000299125223	373463532	/nfs/dbraw/zinc/46/35/32/373463532.db2.gz	MSIZBBGSOCDCOU-CQSZACIVSA-N	2	2	291.395	3.074	20	5		CGBDLP
C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728606	393253375	/nfs/dbraw/zinc/25/33/75/393253375.db2.gz	MOOMDJJVOCPHSY-KBPBESRZSA-N	2	2	291.395	3.120	20	5		CGBDLP
C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728606	393253377	/nfs/dbraw/zinc/25/33/77/393253377.db2.gz	MOOMDJJVOCPHSY-KBPBESRZSA-N	2	2	291.395	3.120	20	5		CGBDLP
C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000925827066	638624799	/nfs/dbraw/zinc/62/47/99/638624799.db2.gz	QONVDXKQFRAWPW-ZTFRIQLXSA-N	2	2	297.358	3.390	20	5		CGBDLP
CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1	ZINC000600712740	347830297	/nfs/dbraw/zinc/83/02/97/347830297.db2.gz	XQYRTRTWCSMRGI-HRCADAONSA-N	2	2	291.395	3.166	20	5		CGBDLP
C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1	ZINC000423384025	236057745	/nfs/dbraw/zinc/05/77/45/236057745.db2.gz	JRGBJPGBWSHZMK-SWLSCSKDSA-N	2	2	291.395	3.024	20	5		CGBDLP
CC(C)[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000230141369	376486275	/nfs/dbraw/zinc/48/62/75/376486275.db2.gz	CIHWVODNPHBAHY-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000230141369	376486284	/nfs/dbraw/zinc/48/62/84/376486284.db2.gz	CIHWVODNPHBAHY-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000262383738	377897228	/nfs/dbraw/zinc/89/72/28/377897228.db2.gz	YZYIBYPLADSBQY-GOPGUHFVSA-N	2	2	297.358	3.390	20	5		CGBDLP
CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000414816349	380428492	/nfs/dbraw/zinc/42/84/92/380428492.db2.gz	PNNKNSUILZPYAB-CQSZACIVSA-N	2	2	293.411	3.325	20	5		CGBDLP
CC(C)c1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-]	ZINC000415060479	393121863	/nfs/dbraw/zinc/12/18/63/393121863.db2.gz	WYIUOYHPDDHWAG-HNNXBMFYSA-N	2	2	293.411	3.181	20	5		CGBDLP
CC(C)c1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-]	ZINC000415060481	393122098	/nfs/dbraw/zinc/12/20/98/393122098.db2.gz	WYIUOYHPDDHWAG-OAHLLOKOSA-N	2	2	293.411	3.181	20	5		CGBDLP
CC[NH+](CC)CCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1	ZINC000338239322	276096185	/nfs/dbraw/zinc/09/61/85/276096185.db2.gz	OGYLYVWICYWIGD-UHFFFAOYSA-N	2	2	293.411	3.149	20	5		CGBDLP
CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1	ZINC000338239322	276096186	/nfs/dbraw/zinc/09/61/86/276096186.db2.gz	OGYLYVWICYWIGD-UHFFFAOYSA-N	2	2	293.411	3.149	20	5		CGBDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000156570576	276174366	/nfs/dbraw/zinc/17/43/66/276174366.db2.gz	RIZXHGOZSJXLHS-UONOGXRCSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000156570576	276174367	/nfs/dbraw/zinc/17/43/67/276174367.db2.gz	RIZXHGOZSJXLHS-UONOGXRCSA-N	2	2	291.395	3.038	20	5		CGBDLP
Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-]	ZINC000423234321	534226124	/nfs/dbraw/zinc/22/61/24/534226124.db2.gz	FOGQDHADDXTUCJ-BBRMVZONSA-N	2	2	299.374	3.254	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[NH2+][C@@H]1CC[NH2+]C1	ZINC000841044824	620544064	/nfs/dbraw/zinc/54/40/64/620544064.db2.gz	JIHKWAARZMEUNT-MRXNPFEDSA-N	2	2	276.383	3.445	20	5		CGBDLP
C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728609	191295645	/nfs/dbraw/zinc/29/56/45/191295645.db2.gz	MOOMDJJVOCPHSY-ZIAGYGMSSA-N	2	2	291.395	3.120	20	5		CGBDLP
C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-]	ZINC000271728609	191295646	/nfs/dbraw/zinc/29/56/46/191295646.db2.gz	MOOMDJJVOCPHSY-ZIAGYGMSSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC(C)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000584437418	378385049	/nfs/dbraw/zinc/38/50/49/378385049.db2.gz	IFYNGGREAKXHBZ-UHFFFAOYSA-N	2	2	293.411	3.102	20	5		CGBDLP
CC(C)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000584437418	378385051	/nfs/dbraw/zinc/38/50/51/378385051.db2.gz	IFYNGGREAKXHBZ-UHFFFAOYSA-N	2	2	293.411	3.102	20	5		CGBDLP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277303419	379125099	/nfs/dbraw/zinc/12/50/99/379125099.db2.gz	UIWOUCAZNDEWOC-UKRRQHHQSA-N	2	2	291.395	3.072	20	5		CGBDLP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1	ZINC000277303419	379125110	/nfs/dbraw/zinc/12/51/10/379125110.db2.gz	UIWOUCAZNDEWOC-UKRRQHHQSA-N	2	2	291.395	3.072	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000090847430	345796339	/nfs/dbraw/zinc/79/63/39/345796339.db2.gz	QCDBBXCYYUPLGV-ZDUSSCGKSA-N	2	2	285.347	3.192	20	5		CGBDLP
C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975225	347703244	/nfs/dbraw/zinc/70/32/44/347703244.db2.gz	UEKDYXXCMBWZKU-STQMWFEESA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000598975225	347703246	/nfs/dbraw/zinc/70/32/46/347703246.db2.gz	UEKDYXXCMBWZKU-STQMWFEESA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000248034782	138549796	/nfs/dbraw/zinc/54/97/96/138549796.db2.gz	RIZXHGOZSJXLHS-ZIAGYGMSSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000248034782	138549797	/nfs/dbraw/zinc/54/97/97/138549797.db2.gz	RIZXHGOZSJXLHS-ZIAGYGMSSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[NH+](CC)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-]	ZINC000429255591	279099564	/nfs/dbraw/zinc/09/95/64/279099564.db2.gz	HXIOUGHXSFBBNB-UHFFFAOYSA-N	2	2	293.411	3.151	20	5		CGBDLP
C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053967	347271184	/nfs/dbraw/zinc/27/11/84/347271184.db2.gz	KQBNQDBTPWSLJQ-WFASDCNBSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1	ZINC000595053967	347271189	/nfs/dbraw/zinc/27/11/89/347271189.db2.gz	KQBNQDBTPWSLJQ-WFASDCNBSA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000423146925	299399457	/nfs/dbraw/zinc/39/94/57/299399457.db2.gz	QONVDXKQFRAWPW-YMRXKLBXSA-N	2	2	297.358	3.390	20	5		CGBDLP
CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000423294695	372047964	/nfs/dbraw/zinc/04/79/64/372047964.db2.gz	CSTDHIVGUAZQHD-CHWSQXEVSA-N	2	2	279.384	3.071	20	5		CGBDLP
CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000414839011	500611699	/nfs/dbraw/zinc/61/16/99/500611699.db2.gz	LGGHEAGQXWOAMH-CQSZACIVSA-N	2	2	293.411	3.181	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000090846818	345796471	/nfs/dbraw/zinc/79/64/71/345796471.db2.gz	AAZNFHKRVDEECH-AWEZNQCLSA-N	2	2	299.374	3.500	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000090846819	345796590	/nfs/dbraw/zinc/79/65/90/345796590.db2.gz	AAZNFHKRVDEECH-CQSZACIVSA-N	2	2	299.374	3.500	20	5		CGBDLP
C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000262383745	377896351	/nfs/dbraw/zinc/89/63/51/377896351.db2.gz	YZYIBYPLADSBQY-MZPVMMEZSA-N	2	2	297.358	3.390	20	5		CGBDLP
CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721111	369025968	/nfs/dbraw/zinc/02/59/68/369025968.db2.gz	XAOGTAARJYYFEG-CVEARBPZSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721111	369025971	/nfs/dbraw/zinc/02/59/71/369025971.db2.gz	XAOGTAARJYYFEG-CVEARBPZSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC(C)C[C@H]([NH3+])C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000414688176	380374263	/nfs/dbraw/zinc/37/42/63/380374263.db2.gz	IVRNDIATNGHVPK-HNNXBMFYSA-N	2	2	293.411	3.179	20	5		CGBDLP
CC(C)C[C@H]([NH3+])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000414688176	380374267	/nfs/dbraw/zinc/37/42/67/380374267.db2.gz	IVRNDIATNGHVPK-HNNXBMFYSA-N	2	2	293.411	3.179	20	5		CGBDLP
CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1	ZINC000414839009	380446131	/nfs/dbraw/zinc/44/61/31/380446131.db2.gz	LGGHEAGQXWOAMH-AWEZNQCLSA-N	2	2	293.411	3.181	20	5		CGBDLP
CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000020526252	273611492	/nfs/dbraw/zinc/61/14/92/273611492.db2.gz	BYOQVWOFVCRFJB-ZDUSSCGKSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC(C)[N@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000761520983	627047137	/nfs/dbraw/zinc/04/71/37/627047137.db2.gz	HOHMJPNRAFGPSQ-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000761520983	627047139	/nfs/dbraw/zinc/04/71/39/627047139.db2.gz	HOHMJPNRAFGPSQ-UHFFFAOYSA-N	2	2	299.802	3.068	20	5		CGBDLP
C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000925827063	638623934	/nfs/dbraw/zinc/62/39/34/638623934.db2.gz	QONVDXKQFRAWPW-LQAWEQHXSA-N	2	2	297.358	3.390	20	5		CGBDLP
C1=C(Nc2ccc3[nH+]c4ccccc4cc3c2)C[NH2+]C1	ZINC001159741649	806164690	/nfs/dbraw/zinc/16/46/90/806164690.db2.gz	MYKCGCLXXNWZAS-UHFFFAOYSA-N	2	2	261.328	3.287	20	5		CGBDLP
CC[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423461692	529569338	/nfs/dbraw/zinc/56/93/38/529569338.db2.gz	KDPLFJHMJUNCJX-NVXWUHKLSA-N	2	2	299.374	3.011	20	5		CGBDLP
CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000423298273	528956690	/nfs/dbraw/zinc/95/66/90/528956690.db2.gz	NVGAFZMJLOFZSN-TZMCWYRMSA-N	2	2	279.384	3.071	20	5		CGBDLP
C[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1	ZINC001579414533	962626854	/nfs/dbraw/zinc/62/68/54/962626854.db2.gz	IQEXVOSLKGATQS-OCCSQVGLSA-N	2	2	293.411	3.399	20	5		CGBDLP
Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-]	ZINC000423234324	236004301	/nfs/dbraw/zinc/00/43/01/236004301.db2.gz	FOGQDHADDXTUCJ-XJKSGUPXSA-N	2	2	299.374	3.254	20	5		CGBDLP
C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000037562461	369089158	/nfs/dbraw/zinc/08/91/58/369089158.db2.gz	MMJSWOSUNPGPDW-LBPRGKRZSA-N	2	2	297.424	3.010	20	5		CGBDLP
C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000037562461	369089160	/nfs/dbraw/zinc/08/91/60/369089160.db2.gz	MMJSWOSUNPGPDW-LBPRGKRZSA-N	2	2	297.424	3.010	20	5		CGBDLP
CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721112	391976891	/nfs/dbraw/zinc/97/68/91/391976891.db2.gz	XAOGTAARJYYFEG-HZPDHXFCSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1	ZINC000036721112	391976898	/nfs/dbraw/zinc/97/68/98/391976898.db2.gz	XAOGTAARJYYFEG-HZPDHXFCSA-N	2	2	291.395	3.120	20	5		CGBDLP
CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801873	393093916	/nfs/dbraw/zinc/09/39/16/393093916.db2.gz	CNHHTOLAQIDWII-UHOFOFEASA-N	2	2	291.395	3.118	20	5		CGBDLP
CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000346801873	393093921	/nfs/dbraw/zinc/09/39/21/393093921.db2.gz	CNHHTOLAQIDWII-UHOFOFEASA-N	2	2	291.395	3.118	20	5		CGBDLP
C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1	ZINC000423146922	393652346	/nfs/dbraw/zinc/65/23/46/393652346.db2.gz	QONVDXKQFRAWPW-GOPGUHFVSA-N	2	2	297.358	3.390	20	5		CGBDLP
CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	ZINC000423294697	528955917	/nfs/dbraw/zinc/95/59/17/528955917.db2.gz	CSTDHIVGUAZQHD-QWHCGFSZSA-N	2	2	279.384	3.071	20	5		CGBDLP
Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-]	ZINC000449200177	239240394	/nfs/dbraw/zinc/24/03/94/239240394.db2.gz	BDYLANWXZYMTIL-AWEZNQCLSA-N	2	2	299.374	3.062	20	5		CGBDLP
CCC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000423371952	283941578	/nfs/dbraw/zinc/94/15/78/283941578.db2.gz	VPTWYNDEVQJDOB-KCXAZCMYSA-N	2	2	291.395	3.024	20	5		CGBDLP
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+]	ZINC000423451399	296160208	/nfs/dbraw/zinc/16/02/08/296160208.db2.gz	UXGWWBOTRDBJTO-OGHNNQOOSA-N	2	2	299.374	3.010	20	5		CGBDLP
Cc1cc[nH+]cc1CCC[NH2+]CCc1cccc([N+](=O)[O-])c1	ZINC000290565878	372018257	/nfs/dbraw/zinc/01/82/57/372018257.db2.gz	ZZLWJHSHFRIUOT-UHFFFAOYSA-N	2	2	299.374	3.063	20	5		CGBDLP
CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000038098009	174112497	/nfs/dbraw/zinc/11/24/97/174112497.db2.gz	OJCUOIOSZFGUGM-ZDUSSCGKSA-N	2	2	291.395	3.038	20	5		CGBDLP
CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1[N+](=O)[O-]	ZINC000338240136	279094318	/nfs/dbraw/zinc/09/43/18/279094318.db2.gz	UITWYJWSWXWTBA-UHFFFAOYSA-N	2	2	293.411	3.149	20	5		CGBDLP
CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1[N+](=O)[O-]	ZINC000338240136	279094320	/nfs/dbraw/zinc/09/43/20/279094320.db2.gz	UITWYJWSWXWTBA-UHFFFAOYSA-N	2	2	293.411	3.149	20	5		CGBDLP
CC(C)([NH3+])C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000423287837	527259219	/nfs/dbraw/zinc/25/92/19/527259219.db2.gz	OULDVPFHVCXAQD-MRXNPFEDSA-N	2	2	299.374	3.011	20	5		CGBDLP
CCC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000423371956	528237674	/nfs/dbraw/zinc/23/76/74/528237674.db2.gz	VPTWYNDEVQJDOB-VBNZEHGJSA-N	2	2	291.395	3.024	20	5		CGBDLP
CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000128454035	535062643	/nfs/dbraw/zinc/06/26/43/535062643.db2.gz	PMAYUMQWZXUAOK-CYBMUJFWSA-N	2	2	299.802	3.053	20	5		CGBDLP
CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000128454035	535062649	/nfs/dbraw/zinc/06/26/49/535062649.db2.gz	PMAYUMQWZXUAOK-CYBMUJFWSA-N	2	2	299.802	3.053	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@H]2C[NH2+][C@H]2C1	ZINC001236281493	819412755	/nfs/dbraw/zinc/41/27/55/819412755.db2.gz	HHQHHIUWIKBKFQ-UZLBHIALSA-N	2	2	288.394	3.397	20	5		CGBDLP
c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@H]2C[NH2+][C@H]2C1	ZINC001236281493	819412758	/nfs/dbraw/zinc/41/27/58/819412758.db2.gz	HHQHHIUWIKBKFQ-UZLBHIALSA-N	2	2	288.394	3.397	20	5		CGBDLP