smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccnc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1	ZINC000164038998	436928892	/nfs/dbraw/zinc/92/88/92/436928892.db2.gz	JDPNCWVPUHOWQX-OAHLLOKOSA-N	2	0	346.391	0.678	20	5		ECBDRP
C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1	ZINC000366127772	438023681	/nfs/dbraw/zinc/02/36/81/438023681.db2.gz	PNZXHUIGMMMNFG-GFCCVEGCSA-N	2	0	333.392	0.888	20	5		ECBDRP
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420459823	438411048	/nfs/dbraw/zinc/41/10/48/438411048.db2.gz	RMUXRMBLBIBDJY-UHFFFAOYSA-N	2	0	346.409	0.292	20	5		ECBDRP
C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422977581	438623266	/nfs/dbraw/zinc/62/32/66/438623266.db2.gz	FWLPFNOYUAXRCC-GHMZBOCLSA-N	2	0	330.410	0.589	20	5		ECBDRP
C[NH+](C)CCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000075645030	296618766	/nfs/dbraw/zinc/61/87/66/296618766.db2.gz	VYWIOUIIUIUSLG-OAHLLOKOSA-N	2	0	325.413	0.816	20	5		ECBDRP
Cn1ncc([N+](=O)[O-])c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000347525156	298463122	/nfs/dbraw/zinc/46/31/22/298463122.db2.gz	OYQKVSQMDGXDJV-UHFFFAOYSA-N	2	0	340.428	0.674	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1	ZINC000075766783	436176536	/nfs/dbraw/zinc/17/65/36/436176536.db2.gz	HBBLLCSMWUJGHS-DTZQCDIJSA-N	2	0	335.408	0.568	20	5		ECBDRP
C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378424566	438384298	/nfs/dbraw/zinc/38/42/98/438384298.db2.gz	FBXFRZCKYFHGOD-OAHLLOKOSA-N	2	0	336.440	0.892	20	5		ECBDRP
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[NH2+]CC2)cc1	ZINC000415089969	438727902	/nfs/dbraw/zinc/72/79/02/438727902.db2.gz	ZKXDDZLVUBUBRU-LBPRGKRZSA-N	2	0	342.421	0.605	20	5		ECBDRP
CC[NH+]1CCC(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000591745275	439080270	/nfs/dbraw/zinc/08/02/70/439080270.db2.gz	HDKGORRBQYTJJU-HNNXBMFYSA-N	2	0	325.413	0.864	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C	ZINC000870024740	589990548	/nfs/dbraw/zinc/99/05/48/589990548.db2.gz	IIAZAZJLCNVACQ-ZIAGYGMSSA-N	2	0	349.435	0.988	20	5		ECBDRP
O=C([C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1	ZINC000886827815	590886883	/nfs/dbraw/zinc/88/68/83/590886883.db2.gz	SAQNZVINLCQFOB-CQSZACIVSA-N	2	0	333.392	0.634	20	5		ECBDRP
O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[NH2+]CC1	ZINC000262221071	165310139	/nfs/dbraw/zinc/31/01/39/165310139.db2.gz	UNGJZRWGKKYZFG-UHFFFAOYSA-N	2	0	347.419	0.539	20	5		ECBDRP
CCC[NH+]1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000072630349	436048119	/nfs/dbraw/zinc/04/81/19/436048119.db2.gz	GTHCIXFLURNIKM-OAHLLOKOSA-N	2	0	325.413	0.958	20	5		ECBDRP
Cc1ccnc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1	ZINC000164038892	436929385	/nfs/dbraw/zinc/92/93/85/436929385.db2.gz	JDPNCWVPUHOWQX-HNNXBMFYSA-N	2	0	346.391	0.678	20	5		ECBDRP
O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000352507884	321362168	/nfs/dbraw/zinc/36/21/68/321362168.db2.gz	DPROQADSJVFPSE-AWEZNQCLSA-N	2	0	347.419	0.903	20	5		ECBDRP
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001023088881	736478269	/nfs/dbraw/zinc/47/82/69/736478269.db2.gz	NNAFRXJCWAUYGD-TXEJJXNPSA-N	2	0	336.396	0.161	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1	ZINC000304418322	437160903	/nfs/dbraw/zinc/16/09/03/437160903.db2.gz	FDQLSYRCZUQGMC-YUELXQCFSA-N	2	0	325.413	0.814	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nc1	ZINC000595885391	438876547	/nfs/dbraw/zinc/87/65/47/438876547.db2.gz	NIJWNYZNKKEMCW-JSGCOSHPSA-N	2	0	333.392	0.997	20	5		ECBDRP
Cc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(C)cc1[N+](=O)[O-]	ZINC000565245941	322444659	/nfs/dbraw/zinc/44/46/59/322444659.db2.gz	NWEFDNLMSQRWTR-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
Cc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc([N+](=O)[O-])c1F	ZINC000842481825	589032153	/nfs/dbraw/zinc/03/21/53/589032153.db2.gz	NDCDBFXSWWWSBZ-UHFFFAOYSA-N	2	0	348.400	0.731	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000923387102	611236519	/nfs/dbraw/zinc/23/65/19/611236519.db2.gz	UAQJCUHPOAVESR-HOCLYGCPSA-N	2	0	337.424	0.864	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000923387100	611236759	/nfs/dbraw/zinc/23/67/59/611236759.db2.gz	UAQJCUHPOAVESR-GDBMZVCRSA-N	2	0	337.424	0.864	20	5		ECBDRP
[NH3+]CCCN(CCC[NH3+])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000420448347	209369170	/nfs/dbraw/zinc/36/91/70/209369170.db2.gz	DQBIOAKMNBIOMM-UHFFFAOYSA-N	2	0	330.410	0.424	20	5		ECBDRP
C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[NH2+]CC1	ZINC000414873225	208436678	/nfs/dbraw/zinc/43/66/78/208436678.db2.gz	XKEVLTJWHYHPFK-ZDUSSCGKSA-N	2	0	335.408	0.807	20	5		ECBDRP
C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1	ZINC000430628382	210392851	/nfs/dbraw/zinc/39/28/51/210392851.db2.gz	OORCTPZPRJXRHJ-UHFFFAOYSA-N	2	0	349.391	0.287	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000530880597	302033392	/nfs/dbraw/zinc/03/33/92/302033392.db2.gz	WQFSLRXZLSEFNC-UHFFFAOYSA-N	2	0	338.408	0.925	20	5		ECBDRP
CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000304287091	437156099	/nfs/dbraw/zinc/15/60/99/437156099.db2.gz	AYBZMEBFQNOHDZ-HNNXBMFYSA-N	2	0	325.413	0.957	20	5		ECBDRP
C[N@H+](CCCN1CC[NH+](C)CC1)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000182967832	437370101	/nfs/dbraw/zinc/37/01/01/437370101.db2.gz	DZPXNMRYTCPQRW-UHFFFAOYSA-N	2	0	337.424	0.326	20	5		ECBDRP
C[NH+](C)CC1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000568383643	322626193	/nfs/dbraw/zinc/62/61/93/322626193.db2.gz	AXBUWOLQKXPTAS-SSDMNJCBSA-N	2	0	325.413	0.862	20	5		ECBDRP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]CC[NH2+]CC1	ZINC000923465166	611246236	/nfs/dbraw/zinc/24/62/36/611246236.db2.gz	VZEXVOQYRMQNCX-UHFFFAOYSA-N	2	0	335.408	0.727	20	5		ECBDRP
O=[N+]([O-])c1cnn(CC[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1	ZINC000424294364	437920032	/nfs/dbraw/zinc/92/00/32/437920032.db2.gz	QBEBDUDMOUFJIK-UHFFFAOYSA-N	2	0	331.380	0.928	20	5		ECBDRP
C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1	ZINC000358041105	438130278	/nfs/dbraw/zinc/13/02/78/438130278.db2.gz	FJWXKUJOSJDSSI-INIZCTEOSA-N	2	0	345.359	0.577	20	5		ECBDRP
O=C(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH2+]CC1	ZINC000581878609	439258937	/nfs/dbraw/zinc/25/89/37/439258937.db2.gz	SINDLFOWYHRZDJ-QWHCGFSZSA-N	2	0	336.396	0.296	20	5		ECBDRP
C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(=O)N1CC[NH2+]CC1	ZINC000571431233	322721392	/nfs/dbraw/zinc/72/13/92/322721392.db2.gz	KCWUICWPEWQXTK-LBPRGKRZSA-N	2	0	349.391	0.333	20	5		ECBDRP
O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CC[NH2+]CC1	ZINC000572524497	322746323	/nfs/dbraw/zinc/74/63/23/322746323.db2.gz	UCQHUQRMKIWWQU-UHFFFAOYSA-N	2	0	336.396	0.250	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nc1	ZINC000923325671	611230244	/nfs/dbraw/zinc/23/02/44/611230244.db2.gz	FQYSMOJBEDCAMW-TZMCWYRMSA-N	2	0	333.392	0.855	20	5		ECBDRP
C[C@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422939919	438618293	/nfs/dbraw/zinc/61/82/93/438618293.db2.gz	GLTRIYBIFBVKJT-GFCCVEGCSA-N	2	0	344.437	0.980	20	5		ECBDRP
Cc1cncc([N+](=O)[O-])c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000602951876	439167045	/nfs/dbraw/zinc/16/70/45/439167045.db2.gz	KKLYDIONMSXVFI-UHFFFAOYSA-N	2	0	338.412	0.677	20	5		ECBDRP
Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c([N+](=O)[O-])n1	ZINC000903506455	586778502	/nfs/dbraw/zinc/77/85/02/586778502.db2.gz	VCTXWEGMCUAUSZ-GASCZTMLSA-N	2	0	334.424	0.729	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H]1C[NH+](C)C	ZINC000866010021	589714940	/nfs/dbraw/zinc/71/49/40/589714940.db2.gz	FABKSSSLYZMZJK-CHWSQXEVSA-N	2	0	349.435	0.869	20	5		ECBDRP
[NH3+]CCCN(CCC[NH3+])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000420463045	209371137	/nfs/dbraw/zinc/37/11/37/209371137.db2.gz	WATASNCFHDTTLB-UHFFFAOYSA-N	2	0	330.410	0.424	20	5		ECBDRP
O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000420350489	209356922	/nfs/dbraw/zinc/35/69/22/209356922.db2.gz	SXWCZCSLZKYIGV-INIZCTEOSA-N	2	0	347.419	0.903	20	5		ECBDRP
C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378435257	438386883	/nfs/dbraw/zinc/38/68/83/438386883.db2.gz	UEEFKFGKCVXUGJ-HNNXBMFYSA-N	2	0	336.440	0.892	20	5		ECBDRP
C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422937486	438618881	/nfs/dbraw/zinc/61/88/81/438618881.db2.gz	CMZIJZSZBXAJIH-GHMZBOCLSA-N	2	0	330.410	0.589	20	5		ECBDRP
C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1	ZINC000564865352	438880149	/nfs/dbraw/zinc/88/01/49/438880149.db2.gz	XTCINFALKTYALA-ZFWWWQNUSA-N	2	0	341.412	0.243	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1	ZINC000596067315	438921152	/nfs/dbraw/zinc/92/11/52/438921152.db2.gz	KGLUDGQNGKMXPE-INIZCTEOSA-N	2	0	337.424	0.864	20	5		ECBDRP
CCN(CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000602617243	439117835	/nfs/dbraw/zinc/11/78/35/439117835.db2.gz	BVAOSLVRHKKYML-UHFFFAOYSA-N	2	0	337.424	0.862	20	5		ECBDRP
CC[NH+]1CCC(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000591745276	439081200	/nfs/dbraw/zinc/08/12/00/439081200.db2.gz	HDKGORRBQYTJJU-OAHLLOKOSA-N	2	0	325.413	0.864	20	5		ECBDRP
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1C	ZINC000420464431	209372201	/nfs/dbraw/zinc/37/22/01/209372201.db2.gz	XNSNIKUJELNESS-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH2+]CC1	ZINC000262280598	295474357	/nfs/dbraw/zinc/47/43/57/295474357.db2.gz	ZFRZMLPVYOEHAK-UHFFFAOYSA-N	2	0	347.419	0.539	20	5		ECBDRP
COc1cc(C[NH2+]CCCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC	ZINC000414776548	438717511	/nfs/dbraw/zinc/71/75/11/438717511.db2.gz	FPIUGJLMTGAONS-UHFFFAOYSA-N	2	0	338.408	0.997	20	5		ECBDRP
O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000420350491	209355654	/nfs/dbraw/zinc/35/56/54/209355654.db2.gz	SXWCZCSLZKYIGV-MRXNPFEDSA-N	2	0	347.419	0.903	20	5		ECBDRP
O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1	ZINC000261964841	165270461	/nfs/dbraw/zinc/27/04/61/165270461.db2.gz	AYEHVSOLEFYKLT-CYBMUJFWSA-N	2	0	348.407	0.298	20	5		ECBDRP
C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422937487	438619350	/nfs/dbraw/zinc/61/93/50/438619350.db2.gz	CMZIJZSZBXAJIH-MNOVXSKESA-N	2	0	330.410	0.589	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1	ZINC000596067317	438919989	/nfs/dbraw/zinc/91/99/89/438919989.db2.gz	KGLUDGQNGKMXPE-MRXNPFEDSA-N	2	0	337.424	0.864	20	5		ECBDRP
CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(N(C)CC2C[NH+](C)C2)n1	ZINC000596454742	438964196	/nfs/dbraw/zinc/96/41/96/438964196.db2.gz	UDBTVVLLMRRXCD-UHFFFAOYSA-N	2	0	348.451	0.985	20	5		ECBDRP
Cn1cc(CN2CC[NH2+]CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000904397084	586836737	/nfs/dbraw/zinc/83/67/37/586836737.db2.gz	YESJEWZXMIMRKM-UHFFFAOYSA-N	2	0	344.419	0.990	20	5		ECBDRP
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420461492	209371294	/nfs/dbraw/zinc/37/12/94/209371294.db2.gz	UFJIBLTVANYANS-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000548747888	302324697	/nfs/dbraw/zinc/32/46/97/302324697.db2.gz	QYWFIOXKURVOAT-UHFFFAOYSA-N	2	0	326.401	0.664	20	5		ECBDRP
CC(C)C[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000565358330	438943733	/nfs/dbraw/zinc/94/37/33/438943733.db2.gz	SZVNNAVVLRJVKS-HNNXBMFYSA-N	2	0	325.413	0.862	20	5		ECBDRP
[NH3+][C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000594582746	439580257	/nfs/dbraw/zinc/58/02/57/439580257.db2.gz	BETRFRJDIUCMLP-NWDGAFQWSA-N	2	0	342.421	0.733	20	5		ECBDRP
Cc1ncc([N+](=O)[O-])n1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000932033571	611594172	/nfs/dbraw/zinc/59/41/72/611594172.db2.gz	BHVQCRRVTHVVRT-UHFFFAOYSA-N	2	0	326.401	0.052	20	5		ECBDRP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]CC[NH2+]CC1	ZINC000923464623	611246303	/nfs/dbraw/zinc/24/63/03/611246303.db2.gz	OYGZICKPQLZVGG-UHFFFAOYSA-N	2	0	335.408	0.727	20	5		ECBDRP
Cc1nc[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1	ZINC001023025116	736405419	/nfs/dbraw/zinc/40/54/19/736405419.db2.gz	VYYKRJZRNSYVJZ-PHIMTYICSA-N	2	0	347.379	0.339	20	5		ECBDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000264957348	247085108	/nfs/dbraw/zinc/08/51/08/247085108.db2.gz	ZBQIRYNVEMZCPQ-UHFFFAOYSA-N	2	0	340.428	0.523	20	5		ECBDRP
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420452268	254776416	/nfs/dbraw/zinc/77/64/16/254776416.db2.gz	IWTZOZUQOGUXMI-UHFFFAOYSA-N	2	0	330.410	0.592	20	5		ECBDRP
NC(=O)c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1	ZINC000261626406	165216684	/nfs/dbraw/zinc/21/66/84/165216684.db2.gz	GUYOGXUNHUVMBW-CQSZACIVSA-N	2	0	333.392	0.173	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000173533942	437055330	/nfs/dbraw/zinc/05/53/30/437055330.db2.gz	YDAJLUPCSWESFG-MRXNPFEDSA-N	2	0	337.424	0.960	20	5		ECBDRP
Cc1ccc(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1[N+](=O)[O-]	ZINC000420462321	438410823	/nfs/dbraw/zinc/41/08/23/438410823.db2.gz	VDUQVLIVFLMBQD-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
C[C@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422949460	438620126	/nfs/dbraw/zinc/62/01/26/438620126.db2.gz	VDPJGRIXVMWKFW-LLVKDONJSA-N	2	0	330.410	0.590	20	5		ECBDRP
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1	ZINC000415073641	438728403	/nfs/dbraw/zinc/72/84/03/438728403.db2.gz	BFKPCEYLKQWESV-GFCCVEGCSA-N	2	0	342.421	0.462	20	5		ECBDRP
C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1	ZINC000521863032	439129259	/nfs/dbraw/zinc/12/92/59/439129259.db2.gz	PYTZHHPBLOVICC-ZFWWWQNUSA-N	2	0	325.413	0.864	20	5		ECBDRP
C[N@H+](CCOCC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000863556097	590023628	/nfs/dbraw/zinc/02/36/28/590023628.db2.gz	AYKMIFWOZLRQMP-UHFFFAOYSA-N	2	0	328.344	0.970	20	5		ECBDRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1	ZINC000430597805	210387464	/nfs/dbraw/zinc/38/74/64/210387464.db2.gz	AXPUFELWXUIIAN-ZDUSSCGKSA-N	2	0	336.392	0.761	20	5		ECBDRP
Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000103212523	436553208	/nfs/dbraw/zinc/55/32/08/436553208.db2.gz	WDFQFKKBXWVDPP-UHFFFAOYSA-N	2	0	326.401	0.052	20	5		ECBDRP
C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1	ZINC000521863030	439129092	/nfs/dbraw/zinc/12/90/92/439129092.db2.gz	PYTZHHPBLOVICC-HIFRSBDPSA-N	2	0	325.413	0.864	20	5		ECBDRP
C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC000879248546	590574016	/nfs/dbraw/zinc/57/40/16/590574016.db2.gz	VWBVFYIMHKTFHP-OAHLLOKOSA-N	2	0	337.424	0.960	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000923390114	611236750	/nfs/dbraw/zinc/23/67/50/611236750.db2.gz	SXEAMEMZZWGBSR-GOEBONIOSA-N	2	0	337.424	0.864	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000362180306	300167646	/nfs/dbraw/zinc/16/76/46/300167646.db2.gz	IFCJDJVTBZJBMG-YDHLFZDLSA-N	2	0	325.413	0.957	20	5		ECBDRP
COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](N2CCNCC2=O)C1	ZINC000362825898	437756554	/nfs/dbraw/zinc/75/65/54/437756554.db2.gz	KQOHEYDGQKMUJX-HNNXBMFYSA-N	2	0	348.403	1.000	20	5		ECBDRP
C[C@@H]1CN(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000358049878	438131229	/nfs/dbraw/zinc/13/12/29/438131229.db2.gz	SFTSZKCMVYQGMQ-NEPJUHHUSA-N	2	0	342.421	0.413	20	5		ECBDRP
C[C@@H]1CN(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000358049889	438132559	/nfs/dbraw/zinc/13/25/59/438132559.db2.gz	SFTSZKCMVYQGMQ-VXGBXAGGSA-N	2	0	342.421	0.413	20	5		ECBDRP
CN1CC[C@@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1	ZINC000602612760	439118799	/nfs/dbraw/zinc/11/87/99/439118799.db2.gz	QLZJSEAKMWFCQV-MRXNPFEDSA-N	2	0	335.408	0.615	20	5		ECBDRP
CN(CC1C[NH+](C)C1)c1ncc([N+](=O)[O-])c(N(C)CC2C[NH+](C)C2)n1	ZINC000603411764	439256138	/nfs/dbraw/zinc/25/61/38/439256138.db2.gz	YYDIJLBNSSEOLA-UHFFFAOYSA-N	2	0	349.439	0.380	20	5		ECBDRP
[NH3+][C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000571178519	439482653	/nfs/dbraw/zinc/48/26/53/439482653.db2.gz	GQJCKHXMSICCHX-VXGBXAGGSA-N	2	0	342.421	0.733	20	5		ECBDRP
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1	ZINC001021051722	752481887	/nfs/dbraw/zinc/48/18/87/752481887.db2.gz	NNAFRXJCWAUYGD-HAQNSBGRSA-N	2	0	336.396	0.161	20	5		ECBDRP
COc1ccc(OCC[NH+]2CCC(O)(C[NH3+])CC2)c([N+](=O)[O-])c1	ZINC000420407112	301466362	/nfs/dbraw/zinc/46/63/62/301466362.db2.gz	SUFKSYPYKDEODW-UHFFFAOYSA-N	2	0	325.365	0.768	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1	ZINC000365635551	437943519	/nfs/dbraw/zinc/94/35/19/437943519.db2.gz	HBBLLCSMWUJGHS-MIGQKNRLSA-N	2	0	335.408	0.568	20	5		ECBDRP
C[C@@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422939383	438618739	/nfs/dbraw/zinc/61/87/39/438618739.db2.gz	RGVWHAGIBSZZRW-NSHDSACASA-N	2	0	330.410	0.590	20	5		ECBDRP
CN1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C[NH3+])C1	ZINC000515460893	438868869	/nfs/dbraw/zinc/86/88/69/438868869.db2.gz	SNUCDJYCIQPAFU-LLVKDONJSA-N	2	0	347.379	0.255	20	5		ECBDRP
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCOCC[NH3+]	ZINC000600733104	439698144	/nfs/dbraw/zinc/69/81/44/439698144.db2.gz	HCOZZLRTQSUVCC-NSHDSACASA-N	2	0	340.380	0.838	20	5		ECBDRP
C[NH+](C)CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1	ZINC000563014347	322292719	/nfs/dbraw/zinc/29/27/19/322292719.db2.gz	UHEMNKACZXCJTL-AWEZNQCLSA-N	2	0	325.413	0.864	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nc1	ZINC000923325669	611230238	/nfs/dbraw/zinc/23/02/38/611230238.db2.gz	FQYSMOJBEDCAMW-JSGCOSHPSA-N	2	0	333.392	0.855	20	5		ECBDRP
C[C@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422939382	209678008	/nfs/dbraw/zinc/67/80/08/209678008.db2.gz	RGVWHAGIBSZZRW-LLVKDONJSA-N	2	0	330.410	0.590	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000362180305	300167627	/nfs/dbraw/zinc/16/76/27/300167627.db2.gz	IFCJDJVTBZJBMG-VNHYZAJKSA-N	2	0	325.413	0.957	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000362180303	300167813	/nfs/dbraw/zinc/16/78/13/300167813.db2.gz	IFCJDJVTBZJBMG-IPYPFGDCSA-N	2	0	325.413	0.957	20	5		ECBDRP
C[C@H](C[C@H](C)[NH3+])[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422943863	438618209	/nfs/dbraw/zinc/61/82/09/438618209.db2.gz	YUIXSBFIFFJUCW-WDEREUQCSA-N	2	0	330.410	0.589	20	5		ECBDRP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422945171	438618645	/nfs/dbraw/zinc/61/86/45/438618645.db2.gz	MQXXCHHBEGTWSQ-BXUZGUMPSA-N	2	0	342.421	0.590	20	5		ECBDRP
CN1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C[NH3+])C1	ZINC000515460894	438869528	/nfs/dbraw/zinc/86/95/28/438869528.db2.gz	SNUCDJYCIQPAFU-NSHDSACASA-N	2	0	347.379	0.255	20	5		ECBDRP
O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH2+]CC1	ZINC000581878610	439259160	/nfs/dbraw/zinc/25/91/60/439259160.db2.gz	SINDLFOWYHRZDJ-STQMWFEESA-N	2	0	336.396	0.296	20	5		ECBDRP
C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CC[NH+](C)CC1	ZINC000877017987	590433720	/nfs/dbraw/zinc/43/37/20/590433720.db2.gz	YLMQPHNFHMVYIR-WLYUNCDWSA-N	2	0	336.440	0.968	20	5		ECBDRP
C[C@@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422933188	438619288	/nfs/dbraw/zinc/61/92/88/438619288.db2.gz	HLDCQURLLRRJOI-LBPRGKRZSA-N	2	0	344.437	0.980	20	5		ECBDRP
[NH3+]C1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000415088152	438727771	/nfs/dbraw/zinc/72/77/71/438727771.db2.gz	XDCHUBRALHEVND-UHFFFAOYSA-N	2	0	342.421	0.733	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000593545009	439401644	/nfs/dbraw/zinc/40/16/44/439401644.db2.gz	YPLIQQICKTXYHF-UHFFFAOYSA-N	2	0	345.425	0.104	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)nc1	ZINC000923325668	611230166	/nfs/dbraw/zinc/23/01/66/611230166.db2.gz	FQYSMOJBEDCAMW-GXTWGEPZSA-N	2	0	333.392	0.855	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000104102462	436557895	/nfs/dbraw/zinc/55/78/95/436557895.db2.gz	ILRIAZQBLDBHIP-UHFFFAOYSA-N	2	0	344.437	0.709	20	5		ECBDRP
C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])c(N)n1	ZINC000267099104	437288437	/nfs/dbraw/zinc/28/84/37/437288437.db2.gz	KEPUWTUPXYCUHF-UHFFFAOYSA-N	2	0	325.417	0.677	20	5		ECBDRP
[NH3+][C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000594582748	439579475	/nfs/dbraw/zinc/57/94/75/439579475.db2.gz	BETRFRJDIUCMLP-VXGBXAGGSA-N	2	0	342.421	0.733	20	5		ECBDRP
C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000304334088	437157836	/nfs/dbraw/zinc/15/78/36/437157836.db2.gz	WDVVCWAITOXZJI-ZFWWWQNUSA-N	2	0	325.413	0.958	20	5		ECBDRP
C[NH+]1CCC2(CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000368535607	438344247	/nfs/dbraw/zinc/34/42/47/438344247.db2.gz	YIZFGIKBZIZFAV-HNNXBMFYSA-N	2	0	337.424	0.960	20	5		ECBDRP
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(c3ncc[nH]3)CC2)c1	ZINC000568346935	439239525	/nfs/dbraw/zinc/23/95/25/439239525.db2.gz	IGWRVDICWAONLH-AWEZNQCLSA-N	2	0	347.375	0.880	20	5		ECBDRP
COc1ccc(NC(=O)[C@H](C)N(C)CCOCC[NH3+])c([N+](=O)[O-])c1	ZINC000600734309	439697433	/nfs/dbraw/zinc/69/74/33/439697433.db2.gz	NRTVUQMEHKCRRU-NSHDSACASA-N	2	0	340.380	0.838	20	5		ECBDRP
O=[N+]([O-])c1cnc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc1C1C[NH2+]C1	ZINC001167059796	731666394	/nfs/dbraw/zinc/66/63/94/731666394.db2.gz	JWZVOGVJCJCJFD-SNVBAGLBSA-N	2	0	329.364	0.724	20	5		ECBDRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1	ZINC000430597804	210387020	/nfs/dbraw/zinc/38/70/20/210387020.db2.gz	AXPUFELWXUIIAN-CYBMUJFWSA-N	2	0	336.392	0.761	20	5		ECBDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000285702103	264334140	/nfs/dbraw/zinc/33/41/40/264334140.db2.gz	VYSCIOVIPLGIJT-UHFFFAOYSA-N	2	0	326.401	0.664	20	5		ECBDRP
C[C@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422937488	274503398	/nfs/dbraw/zinc/50/33/98/274503398.db2.gz	CMZIJZSZBXAJIH-QWRGUYRKSA-N	2	0	330.410	0.589	20	5		ECBDRP
C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[NH2+]CC1	ZINC000423205319	438648171	/nfs/dbraw/zinc/64/81/71/438648171.db2.gz	PCVHILTWKCQWPS-ZDUSSCGKSA-N	2	0	335.408	0.807	20	5		ECBDRP
Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(C)c1[N+](=O)[O-]	ZINC000598715050	439305353	/nfs/dbraw/zinc/30/53/53/439305353.db2.gz	LZJBEDAZNTZMQS-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1	ZINC000984859060	747016098	/nfs/dbraw/zinc/01/60/98/747016098.db2.gz	SMXGHVYTVVYWSR-XYPYZODXSA-N	2	0	347.379	0.279	20	5		ECBDRP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422934789	209676556	/nfs/dbraw/zinc/67/65/56/209676556.db2.gz	JYRNNYBCFXJVQB-RISCZKNCSA-N	2	0	342.421	0.590	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000362180304	300167863	/nfs/dbraw/zinc/16/78/63/300167863.db2.gz	IFCJDJVTBZJBMG-KCQAQPDRSA-N	2	0	325.413	0.957	20	5		ECBDRP
C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1	ZINC000366127773	438023112	/nfs/dbraw/zinc/02/31/12/438023112.db2.gz	PNZXHUIGMMMNFG-LBPRGKRZSA-N	2	0	333.392	0.888	20	5		ECBDRP
O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH2+]CC1	ZINC000568748571	439275768	/nfs/dbraw/zinc/27/57/68/439275768.db2.gz	FXFCYEJRZCUNSU-OAHLLOKOSA-N	2	0	332.404	0.937	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000552198372	302386792	/nfs/dbraw/zinc/38/67/92/302386792.db2.gz	SRVDNMWFKMDNOT-UHFFFAOYSA-N	2	0	326.401	0.133	20	5		ECBDRP
C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378435258	438386851	/nfs/dbraw/zinc/38/68/51/438386851.db2.gz	UEEFKFGKCVXUGJ-OAHLLOKOSA-N	2	0	336.440	0.892	20	5		ECBDRP
COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000565887482	438986617	/nfs/dbraw/zinc/98/66/17/438986617.db2.gz	RWUIWCVMZKLKOK-AWEZNQCLSA-N	2	0	338.408	0.301	20	5		ECBDRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000583626401	439491298	/nfs/dbraw/zinc/49/12/98/439491298.db2.gz	QGPLWPWRIPLBCM-OAHLLOKOSA-N	2	0	338.408	0.172	20	5		ECBDRP
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1	ZINC000420447142	209369261	/nfs/dbraw/zinc/36/92/61/209369261.db2.gz	CIMGWQROPXOVTP-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1	ZINC000515957275	301653366	/nfs/dbraw/zinc/65/33/66/301653366.db2.gz	KHKFZCBVHJLZMX-UHFFFAOYSA-N	2	0	326.401	0.377	20	5		ECBDRP
CN(CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+](C)C	ZINC000289415956	437408932	/nfs/dbraw/zinc/40/89/32/437408932.db2.gz	MFKWPXVDFRGRRQ-UHFFFAOYSA-N	2	0	339.440	0.572	20	5		ECBDRP
C[C@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422978521	438623213	/nfs/dbraw/zinc/62/32/13/438623213.db2.gz	HPVYROVWSRNAOS-GFCCVEGCSA-N	2	0	344.437	0.980	20	5		ECBDRP
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCOCC[NH3+]	ZINC000600733100	439697252	/nfs/dbraw/zinc/69/72/52/439697252.db2.gz	HCOZZLRTQSUVCC-LLVKDONJSA-N	2	0	340.380	0.838	20	5		ECBDRP
CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000531340871	322038210	/nfs/dbraw/zinc/03/82/10/322038210.db2.gz	ZFJYSMPMHGXNRV-OAHLLOKOSA-N	2	0	336.440	0.892	20	5		ECBDRP
Cn1nc([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C	ZINC000356469026	299392729	/nfs/dbraw/zinc/39/27/29/299392729.db2.gz	RKGUFKFHHHDYQH-UHFFFAOYSA-N	2	0	340.428	0.674	20	5		ECBDRP
C[C@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422933187	438618823	/nfs/dbraw/zinc/61/88/23/438618823.db2.gz	HLDCQURLLRRJOI-GFCCVEGCSA-N	2	0	344.437	0.980	20	5		ECBDRP
CS(=O)(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1	ZINC001167883188	751565767	/nfs/dbraw/zinc/56/57/67/751565767.db2.gz	BZJMARLWSSLVEW-UHFFFAOYSA-N	2	0	329.382	0.673	20	5		ECBDRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1	ZINC000430603929	210385736	/nfs/dbraw/zinc/38/57/36/210385736.db2.gz	OVTNOVOVWXVBCP-ZDUSSCGKSA-N	2	0	336.392	0.761	20	5		ECBDRP
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420453010	438409415	/nfs/dbraw/zinc/40/94/15/438409415.db2.gz	JRCQUTXCXVNZBR-UHFFFAOYSA-N	2	0	330.410	0.592	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000870021263	589989748	/nfs/dbraw/zinc/98/97/48/589989748.db2.gz	DCIKNSMTAGODGV-CHWSQXEVSA-N	2	0	349.435	0.988	20	5		ECBDRP
O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC[N+](=O)[O-])CC1	ZINC000930072314	610041976	/nfs/dbraw/zinc/04/19/76/610041976.db2.gz	RFKYMYIPDLLBSQ-UHFFFAOYSA-N	2	0	326.441	0.967	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1	ZINC000923359009	611232552	/nfs/dbraw/zinc/23/25/52/611232552.db2.gz	NWMUBLARJPYMES-IIAWOOMASA-N	2	0	337.424	0.864	20	5		ECBDRP
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CC[NH2+]CC1	ZINC000414873222	208435641	/nfs/dbraw/zinc/43/56/41/208435641.db2.gz	XKEVLTJWHYHPFK-CYBMUJFWSA-N	2	0	335.408	0.807	20	5		ECBDRP
CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000304287093	437157134	/nfs/dbraw/zinc/15/71/34/437157134.db2.gz	AYBZMEBFQNOHDZ-OAHLLOKOSA-N	2	0	325.413	0.957	20	5		ECBDRP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422979802	438623751	/nfs/dbraw/zinc/62/37/51/438623751.db2.gz	KIQGRSWGACEXBP-VXGBXAGGSA-N	2	0	342.421	0.590	20	5		ECBDRP
C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1	ZINC000564865351	438880884	/nfs/dbraw/zinc/88/08/84/438880884.db2.gz	XTCINFALKTYALA-UKRRQHHQSA-N	2	0	341.412	0.243	20	5		ECBDRP
CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])c(N(C)CC[NH+](C)C)n1	ZINC000603303424	439234561	/nfs/dbraw/zinc/23/45/61/439234561.db2.gz	PHDUKWIVRUXPBF-UHFFFAOYSA-N	2	0	325.417	0.380	20	5		ECBDRP
O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000352508550	321362600	/nfs/dbraw/zinc/36/26/00/321362600.db2.gz	HLXWDNDNBMQESH-INIZCTEOSA-N	2	0	347.419	0.903	20	5		ECBDRP
C[N@H+](CCN1CC[NH2+]CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000923285973	611224824	/nfs/dbraw/zinc/22/48/24/611224824.db2.gz	KIHZIPWQRRBVCU-HNNXBMFYSA-N	2	0	338.408	0.172	20	5		ECBDRP
COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](N2CCNCC2=O)C1	ZINC000362825899	437755709	/nfs/dbraw/zinc/75/57/09/437755709.db2.gz	KQOHEYDGQKMUJX-OAHLLOKOSA-N	2	0	348.403	1.000	20	5		ECBDRP
[NH3+][C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000516877461	438931637	/nfs/dbraw/zinc/93/16/37/438931637.db2.gz	GFCOVMUYRCAJIL-NEPJUHHUSA-N	2	0	342.421	0.733	20	5		ECBDRP
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000583626400	439491192	/nfs/dbraw/zinc/49/11/92/439491192.db2.gz	QGPLWPWRIPLBCM-HNNXBMFYSA-N	2	0	338.408	0.172	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1cccc([N+](=O)[O-])c1	ZINC000531357094	322039041	/nfs/dbraw/zinc/03/90/41/322039041.db2.gz	QVTSKYUMOIYALY-UHFFFAOYSA-N	2	0	338.408	0.925	20	5		ECBDRP
Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1	ZINC000866040597	589718236	/nfs/dbraw/zinc/71/82/36/589718236.db2.gz	BBBMNHWDJLODBW-CHWSQXEVSA-N	2	0	337.424	0.745	20	5		ECBDRP
C[NH+](C)[C@@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001165034812	721887452	/nfs/dbraw/zinc/88/74/52/721887452.db2.gz	JFQLQLUWWVFZHZ-GFCCVEGCSA-N	2	0	335.412	0.325	20	5		ECBDRP
COc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c([N+](=O)[O-])c1	ZINC000420462356	209371130	/nfs/dbraw/zinc/37/11/30/209371130.db2.gz	VIMPEAXWUBKYEF-UHFFFAOYSA-N	2	0	346.409	0.292	20	5		ECBDRP
COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000261699989	165228836	/nfs/dbraw/zinc/22/88/36/165228836.db2.gz	OPUCJWGGJLGNOO-LBPRGKRZSA-N	2	0	336.392	0.890	20	5		ECBDRP
C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000304334085	437156119	/nfs/dbraw/zinc/15/61/19/437156119.db2.gz	WDVVCWAITOXZJI-UKRRQHHQSA-N	2	0	325.413	0.958	20	5		ECBDRP
Cc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-]	ZINC000343792027	437657998	/nfs/dbraw/zinc/65/79/98/437657998.db2.gz	MVBXRQSFGYUYHM-GHMZBOCLSA-N	2	0	339.444	0.261	20	5		ECBDRP
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H]2CCC[NH2+]C2)cc1	ZINC000415073647	438729115	/nfs/dbraw/zinc/72/91/15/438729115.db2.gz	BFKPCEYLKQWESV-LBPRGKRZSA-N	2	0	342.421	0.462	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000546880927	322123380	/nfs/dbraw/zinc/12/33/80/322123380.db2.gz	ULTFJCOJGBFXRG-UHFFFAOYSA-N	2	0	344.437	0.709	20	5		ECBDRP
C[NH+](C)[C@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001165034813	721887519	/nfs/dbraw/zinc/88/75/19/721887519.db2.gz	JFQLQLUWWVFZHZ-LBPRGKRZSA-N	2	0	335.412	0.325	20	5		ECBDRP
Cc1ncc(C[NH3+])c(=N)n1-c1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1	ZINC001167674769	737073148	/nfs/dbraw/zinc/07/31/48/737073148.db2.gz	CIYXOGSQLWGMGH-UHFFFAOYSA-N	2	0	346.391	0.967	20	5		ECBDRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000430638122	210394249	/nfs/dbraw/zinc/39/42/49/210394249.db2.gz	MODJKGWUGNJKGC-ZDUSSCGKSA-N	2	0	336.392	0.761	20	5		ECBDRP
COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1	ZINC000261699985	165229461	/nfs/dbraw/zinc/22/94/61/165229461.db2.gz	OPUCJWGGJLGNOO-GFCCVEGCSA-N	2	0	336.392	0.890	20	5		ECBDRP
Cc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@H](C)C[NH+](C)C)c1[N+](=O)[O-]	ZINC000343792029	297933046	/nfs/dbraw/zinc/93/30/46/297933046.db2.gz	MVBXRQSFGYUYHM-MNOVXSKESA-N	2	0	339.444	0.261	20	5		ECBDRP
C[C@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422976707	438623407	/nfs/dbraw/zinc/62/34/07/438623407.db2.gz	DQCRABLUCYFBEJ-LLVKDONJSA-N	2	0	330.410	0.590	20	5		ECBDRP
Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000583862740	439520601	/nfs/dbraw/zinc/52/06/01/439520601.db2.gz	DXDXRLHJEBVWNB-UHFFFAOYSA-N	2	0	340.428	0.442	20	5		ECBDRP
C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-]	ZINC000905644936	586908342	/nfs/dbraw/zinc/90/83/42/586908342.db2.gz	UUMMKBLGIZWYBG-HUUCEWRRSA-N	2	0	336.436	0.896	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nc1	ZINC000923325670	611230125	/nfs/dbraw/zinc/23/01/25/611230125.db2.gz	FQYSMOJBEDCAMW-OCCSQVGLSA-N	2	0	333.392	0.855	20	5		ECBDRP
O=C(CCN1CC[NH2+]CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000923461148	611246740	/nfs/dbraw/zinc/24/67/40/611246740.db2.gz	ZLRSNGILVIKEOC-UHFFFAOYSA-N	2	0	339.371	0.557	20	5		ECBDRP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422979801	438623245	/nfs/dbraw/zinc/62/32/45/438623245.db2.gz	KIQGRSWGACEXBP-RYUDHWBXSA-N	2	0	342.421	0.590	20	5		ECBDRP
O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1	ZINC000843356456	589063507	/nfs/dbraw/zinc/06/35/07/589063507.db2.gz	QSNAWHUKOSTUGL-UHFFFAOYSA-N	2	0	347.419	0.539	20	5		ECBDRP
O=[N+]([O-])c1ccn(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1	ZINC000903510063	586781090	/nfs/dbraw/zinc/78/10/90/586781090.db2.gz	MNLNEAJAFWADMF-GASCZTMLSA-N	2	0	334.424	0.692	20	5		ECBDRP
O=[N+]([O-])c1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1C1C[NH2+]C1	ZINC001164775260	721304073	/nfs/dbraw/zinc/30/40/73/721304073.db2.gz	UOZDTAPLWSGSLA-UHFFFAOYSA-N	2	0	344.419	0.994	20	5		ECBDRP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422934787	209676397	/nfs/dbraw/zinc/67/63/97/209676397.db2.gz	JYRNNYBCFXJVQB-BXUZGUMPSA-N	2	0	342.421	0.590	20	5		ECBDRP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422945174	438617993	/nfs/dbraw/zinc/61/79/93/438617993.db2.gz	MQXXCHHBEGTWSQ-SMDDNHRTSA-N	2	0	342.421	0.590	20	5		ECBDRP
CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515637151	438875651	/nfs/dbraw/zinc/87/56/51/438875651.db2.gz	DQQLZWLLQONHFU-HIFRSBDPSA-N	2	0	325.413	0.720	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)nc1	ZINC000595885388	438877194	/nfs/dbraw/zinc/87/71/94/438877194.db2.gz	NIJWNYZNKKEMCW-GXTWGEPZSA-N	2	0	333.392	0.997	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000923390118	611236665	/nfs/dbraw/zinc/23/66/65/611236665.db2.gz	SXEAMEMZZWGBSR-ZBFHGGJFSA-N	2	0	337.424	0.864	20	5		ECBDRP
O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH2+]CC1	ZINC000568748565	302496542	/nfs/dbraw/zinc/49/65/42/302496542.db2.gz	FXFCYEJRZCUNSU-HNNXBMFYSA-N	2	0	332.404	0.937	20	5		ECBDRP
C[C@H]1CN(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000358049882	438132732	/nfs/dbraw/zinc/13/27/32/438132732.db2.gz	SFTSZKCMVYQGMQ-NWDGAFQWSA-N	2	0	342.421	0.413	20	5		ECBDRP
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(=O)N1CC[NH2+]CC1	ZINC000571431232	439502043	/nfs/dbraw/zinc/50/20/43/439502043.db2.gz	KCWUICWPEWQXTK-GFCCVEGCSA-N	2	0	349.391	0.333	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000559856491	322226475	/nfs/dbraw/zinc/22/64/75/322226475.db2.gz	XGTSHIAXVIAHLM-UHFFFAOYSA-N	2	0	325.369	0.261	20	5		ECBDRP
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420458006	209370670	/nfs/dbraw/zinc/37/06/70/209370670.db2.gz	PIJIRLXJYCDPPD-UHFFFAOYSA-N	2	0	330.410	0.592	20	5		ECBDRP
C[NH+]1CCC(O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000077450248	436238368	/nfs/dbraw/zinc/23/83/68/436238368.db2.gz	NXBUDFOVYMLYNM-UHFFFAOYSA-N	2	0	337.376	0.912	20	5		ECBDRP
CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1	ZINC000530665365	302022504	/nfs/dbraw/zinc/02/25/04/302022504.db2.gz	CWMSPLCYHFJQIJ-OAHLLOKOSA-N	2	0	336.440	0.892	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000173533956	437055013	/nfs/dbraw/zinc/05/50/13/437055013.db2.gz	YDAJLUPCSWESFG-INIZCTEOSA-N	2	0	337.424	0.960	20	5		ECBDRP
C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000304334082	437157777	/nfs/dbraw/zinc/15/77/77/437157777.db2.gz	WDVVCWAITOXZJI-HIFRSBDPSA-N	2	0	325.413	0.958	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1	ZINC000365635552	437943019	/nfs/dbraw/zinc/94/30/19/437943019.db2.gz	HBBLLCSMWUJGHS-OJLVUWQFSA-N	2	0	335.408	0.568	20	5		ECBDRP
C[C@@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422978522	438623178	/nfs/dbraw/zinc/62/31/78/438623178.db2.gz	HPVYROVWSRNAOS-LBPRGKRZSA-N	2	0	344.437	0.980	20	5		ECBDRP
CCc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1[N+](=O)[O-]	ZINC000568749797	439274107	/nfs/dbraw/zinc/27/41/07/439274107.db2.gz	WBJYDUMQXSLWOO-UHFFFAOYSA-N	2	0	344.437	0.846	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1	ZINC000923359094	611233184	/nfs/dbraw/zinc/23/31/84/611233184.db2.gz	NWMUBLARJPYMES-SQWLQELKSA-N	2	0	337.424	0.864	20	5		ECBDRP
[NH3+]Cc1cnc2c(ccn2-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1	ZINC001167311588	733651889	/nfs/dbraw/zinc/65/18/89/733651889.db2.gz	RXZJEZFHSQQPHT-UHFFFAOYSA-N	2	0	325.332	0.869	20	5		ECBDRP
Cc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1[N+](=O)[O-]	ZINC000420455522	209370006	/nfs/dbraw/zinc/37/00/06/209370006.db2.gz	MJSMUJBWXKZKQH-UHFFFAOYSA-N	2	0	330.410	0.592	20	5		ECBDRP
CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000581424258	439209707	/nfs/dbraw/zinc/20/97/07/439209707.db2.gz	HERSJZNJMYNPLA-HIFRSBDPSA-N	2	0	325.413	0.862	20	5		ECBDRP
C[NH+](C)CC1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001165042218	721943440	/nfs/dbraw/zinc/94/34/40/721943440.db2.gz	KMCYCUDHAYLNBW-UHFFFAOYSA-N	2	0	349.439	0.572	20	5		ECBDRP
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001020934206	752359923	/nfs/dbraw/zinc/35/99/23/752359923.db2.gz	PTSBAEZKHOXNIS-HAQNSBGRSA-N	2	0	348.407	0.161	20	5		ECBDRP
O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1	ZINC000261964844	165271144	/nfs/dbraw/zinc/27/11/44/165271144.db2.gz	AYEHVSOLEFYKLT-ZDUSSCGKSA-N	2	0	348.407	0.298	20	5		ECBDRP
CCC[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000521612191	301790883	/nfs/dbraw/zinc/79/08/83/301790883.db2.gz	KOICWDOUPZPZQY-OAHLLOKOSA-N	2	0	325.413	0.864	20	5		ECBDRP
C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000304334079	437158015	/nfs/dbraw/zinc/15/80/15/437158015.db2.gz	WDVVCWAITOXZJI-DZGCQCFKSA-N	2	0	325.413	0.958	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C[NH+](C)C	ZINC000870020974	589989805	/nfs/dbraw/zinc/98/98/05/589989805.db2.gz	JTUQPPACJIZHCC-CHWSQXEVSA-N	2	0	349.435	0.988	20	5		ECBDRP
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420460539	209370985	/nfs/dbraw/zinc/37/09/85/209370985.db2.gz	SOUWETYLROOWKR-UHFFFAOYSA-N	2	0	330.410	0.592	20	5		ECBDRP
C[NH+](C)CCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000075645027	436170246	/nfs/dbraw/zinc/17/02/46/436170246.db2.gz	VYWIOUIIUIUSLG-HNNXBMFYSA-N	2	0	325.413	0.816	20	5		ECBDRP
C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1	ZINC000564865350	438880533	/nfs/dbraw/zinc/88/05/33/438880533.db2.gz	XTCINFALKTYALA-HIFRSBDPSA-N	2	0	341.412	0.243	20	5		ECBDRP
O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH2+]CC1	ZINC000581878608	439259079	/nfs/dbraw/zinc/25/90/79/439259079.db2.gz	SINDLFOWYHRZDJ-OLZOCXBDSA-N	2	0	336.396	0.296	20	5		ECBDRP
CN(CCOCC[NH3+])CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000600739271	439696881	/nfs/dbraw/zinc/69/68/81/439696881.db2.gz	AWFRWONETZRUMA-UHFFFAOYSA-N	2	0	331.394	0.276	20	5		ECBDRP
COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000565887483	322484966	/nfs/dbraw/zinc/48/49/66/322484966.db2.gz	RWUIWCVMZKLKOK-CQSZACIVSA-N	2	0	338.408	0.301	20	5		ECBDRP
O=[N+]([O-])c1cnn(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1	ZINC000903508520	586780456	/nfs/dbraw/zinc/78/04/56/586780456.db2.gz	KDJDOLBTWOLBAT-GASCZTMLSA-N	2	0	334.424	0.692	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH+](C)C	ZINC000870021068	589989861	/nfs/dbraw/zinc/98/98/61/589989861.db2.gz	ZLWRYXWPDDHMEP-CHWSQXEVSA-N	2	0	335.408	0.801	20	5		ECBDRP
C[NH+](C)CCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000174839433	207063745	/nfs/dbraw/zinc/06/37/45/207063745.db2.gz	LQVQHGIMUUNHPI-UHFFFAOYSA-N	2	0	338.412	0.181	20	5		ECBDRP
COc1ccc(NC(=O)CN(C)CCOCC[NH3+])c([N+](=O)[O-])c1	ZINC000600735497	439696870	/nfs/dbraw/zinc/69/68/70/439696870.db2.gz	UZOXDNSXQBAMKT-UHFFFAOYSA-N	2	0	326.353	0.449	20	5		ECBDRP
COc1ccc(NC(=O)[C@@H](C)N(C)CCOCC[NH3+])c([N+](=O)[O-])c1	ZINC000600734308	439697611	/nfs/dbraw/zinc/69/76/11/439697611.db2.gz	NRTVUQMEHKCRRU-LLVKDONJSA-N	2	0	340.380	0.838	20	5		ECBDRP
Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c([N+](=O)[O-])c1	ZINC000420456851	209369732	/nfs/dbraw/zinc/36/97/32/209369732.db2.gz	NRLUOIICXRXWPR-UHFFFAOYSA-N	2	0	330.410	0.592	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1	ZINC000304418317	437160032	/nfs/dbraw/zinc/16/00/32/437160032.db2.gz	FDQLSYRCZUQGMC-QEJZJMRPSA-N	2	0	325.413	0.814	20	5		ECBDRP
C[C@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422943861	438618232	/nfs/dbraw/zinc/61/82/32/438618232.db2.gz	YUIXSBFIFFJUCW-QWRGUYRKSA-N	2	0	330.410	0.589	20	5		ECBDRP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422934788	438618713	/nfs/dbraw/zinc/61/87/13/438618713.db2.gz	JYRNNYBCFXJVQB-FZMZJTMJSA-N	2	0	342.421	0.590	20	5		ECBDRP
CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000581424257	439210233	/nfs/dbraw/zinc/21/02/33/439210233.db2.gz	HERSJZNJMYNPLA-DZGCQCFKSA-N	2	0	325.413	0.862	20	5		ECBDRP
O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1	ZINC000817945608	587392909	/nfs/dbraw/zinc/39/29/09/587392909.db2.gz	HTIZYEUTRHHWMK-UHFFFAOYSA-N	2	0	347.419	0.585	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1	ZINC000923389607	611236589	/nfs/dbraw/zinc/23/65/89/611236589.db2.gz	SXEAMEMZZWGBSR-GDBMZVCRSA-N	2	0	337.424	0.864	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1	ZINC000431172286	438148645	/nfs/dbraw/zinc/14/86/45/438148645.db2.gz	WOCORRRPDAMKRU-ZFWWWQNUSA-N	2	0	333.348	0.701	20	5		ECBDRP
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420466024	438410265	/nfs/dbraw/zinc/41/02/65/438410265.db2.gz	ZFBDHJWPMFMAAV-UHFFFAOYSA-N	2	0	346.409	0.292	20	5		ECBDRP
O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000352508551	321362624	/nfs/dbraw/zinc/36/26/24/321362624.db2.gz	HLXWDNDNBMQESH-MRXNPFEDSA-N	2	0	347.419	0.903	20	5		ECBDRP
CN(C)/C=C/c1cc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ncc1[N+](=O)[O-]	ZINC001167186905	733039378	/nfs/dbraw/zinc/03/93/78/733039378.db2.gz	QYJWUQCMJHNKQF-KUJBENRCSA-N	2	0	333.392	0.932	20	5		ECBDRP
C[C@H](C[C@H](C)[NH3+])[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422937489	274496386	/nfs/dbraw/zinc/49/63/86/274496386.db2.gz	CMZIJZSZBXAJIH-WDEREUQCSA-N	2	0	330.410	0.589	20	5		ECBDRP
COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c([N+](=O)[O-])cc1O	ZINC000077450087	436239287	/nfs/dbraw/zinc/23/92/87/436239287.db2.gz	DDOYYTDFVZCWHN-UHFFFAOYSA-N	2	0	325.365	0.855	20	5		ECBDRP
[NH3+]CCOCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000420364394	438401429	/nfs/dbraw/zinc/40/14/29/438401429.db2.gz	CVESWBDZYMEHNK-UHFFFAOYSA-N	2	0	348.407	0.959	20	5		ECBDRP
CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515637155	438875769	/nfs/dbraw/zinc/87/57/69/438875769.db2.gz	DQQLZWLLQONHFU-ZFWWWQNUSA-N	2	0	325.413	0.720	20	5		ECBDRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000430638120	210395096	/nfs/dbraw/zinc/39/50/96/210395096.db2.gz	MODJKGWUGNJKGC-CYBMUJFWSA-N	2	0	336.392	0.761	20	5		ECBDRP
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1C	ZINC000420457044	301857499	/nfs/dbraw/zinc/85/74/99/301857499.db2.gz	NZNNKRRSTMLSHJ-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+]	ZINC000420459776	438408679	/nfs/dbraw/zinc/40/86/79/438408679.db2.gz	RKDPKGZUFCEEEC-UHFFFAOYSA-N	2	0	344.437	0.846	20	5		ECBDRP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422934790	438619021	/nfs/dbraw/zinc/61/90/21/438619021.db2.gz	JYRNNYBCFXJVQB-SMDDNHRTSA-N	2	0	342.421	0.590	20	5		ECBDRP
CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515637153	438877109	/nfs/dbraw/zinc/87/71/09/438877109.db2.gz	DQQLZWLLQONHFU-UKRRQHHQSA-N	2	0	325.413	0.720	20	5		ECBDRP
C[NH+](C)CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1	ZINC000563014348	322292809	/nfs/dbraw/zinc/29/28/09/322292809.db2.gz	UHEMNKACZXCJTL-CQSZACIVSA-N	2	0	325.413	0.864	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866010187	589714897	/nfs/dbraw/zinc/71/48/97/589714897.db2.gz	HBOKNABASQFTAS-CHWSQXEVSA-N	2	0	349.435	0.869	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C[NH+](C)C	ZINC000870019562	589989665	/nfs/dbraw/zinc/98/96/65/589989665.db2.gz	IQJHLYSVRQUJLW-CHWSQXEVSA-N	2	0	349.435	0.988	20	5		ECBDRP
C[N@H+](CCN1CC[NH2+]CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000923283864	611223278	/nfs/dbraw/zinc/22/32/78/611223278.db2.gz	DTUONGXXFUETCW-CQSZACIVSA-N	2	0	338.408	0.172	20	5		ECBDRP
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cn1	ZINC000923304231	611227002	/nfs/dbraw/zinc/22/70/02/611227002.db2.gz	PQBUYUADDGARFM-CQSZACIVSA-N	2	0	333.392	0.490	20	5		ECBDRP
CC(C)C[NH+]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001164653162	719330717	/nfs/dbraw/zinc/33/07/17/719330717.db2.gz	QSRFOKYUKBBRCR-UHFFFAOYSA-N	2	0	349.439	0.572	20	5		ECBDRP
C[NH+](C)CC1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000568383642	439241582	/nfs/dbraw/zinc/24/15/82/439241582.db2.gz	AXBUWOLQKXPTAS-PIMMBPRGSA-N	2	0	325.413	0.862	20	5		ECBDRP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422979799	283513250	/nfs/dbraw/zinc/51/32/50/283513250.db2.gz	KIQGRSWGACEXBP-NEPJUHHUSA-N	2	0	342.421	0.590	20	5		ECBDRP
Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1[N+](=O)[O-]	ZINC000420461742	209371173	/nfs/dbraw/zinc/37/11/73/209371173.db2.gz	UOHRVEMIQMDCDT-UHFFFAOYSA-N	2	0	330.410	0.592	20	5		ECBDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000270774835	263270755	/nfs/dbraw/zinc/27/07/55/263270755.db2.gz	FSFWIIVFLJYVON-UHFFFAOYSA-N	2	0	326.401	0.664	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1	ZINC000365682877	437950652	/nfs/dbraw/zinc/95/06/52/437950652.db2.gz	WOCORRRPDAMKRU-UKRRQHHQSA-N	2	0	333.348	0.701	20	5		ECBDRP
CSC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[NH+](C)CC1	ZINC000520799586	439095357	/nfs/dbraw/zinc/09/53/57/439095357.db2.gz	PRHILNROKZSWKY-CYBMUJFWSA-N	2	0	343.453	0.569	20	5		ECBDRP
[NH3+]Cc1nn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccccc12	ZINC001167697507	738627255	/nfs/dbraw/zinc/62/72/55/738627255.db2.gz	CNTPKQCYEMXCDR-UHFFFAOYSA-N	2	0	325.332	0.869	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1	ZINC000431172285	438148012	/nfs/dbraw/zinc/14/80/12/438148012.db2.gz	WOCORRRPDAMKRU-HIFRSBDPSA-N	2	0	333.348	0.701	20	5		ECBDRP
C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000368535608	438345847	/nfs/dbraw/zinc/34/58/47/438345847.db2.gz	YIZFGIKBZIZFAV-OAHLLOKOSA-N	2	0	337.424	0.960	20	5		ECBDRP
C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CC[NH2+]CC1	ZINC000423205318	438648207	/nfs/dbraw/zinc/64/82/07/438648207.db2.gz	PCVHILTWKCQWPS-CYBMUJFWSA-N	2	0	335.408	0.807	20	5		ECBDRP
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]CC2CC[NH2+]CC2)cc1	ZINC000415088811	438728117	/nfs/dbraw/zinc/72/81/17/438728117.db2.gz	XYZZNIVYOJADIH-UHFFFAOYSA-N	2	0	342.421	0.462	20	5		ECBDRP
C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1	ZINC000592471991	439234972	/nfs/dbraw/zinc/23/49/72/439234972.db2.gz	BTDROEPXMFSAKE-UHFFFAOYSA-N	2	0	335.408	0.760	20	5		ECBDRP
O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000352507885	321362250	/nfs/dbraw/zinc/36/22/50/321362250.db2.gz	DPROQADSJVFPSE-CQSZACIVSA-N	2	0	347.419	0.903	20	5		ECBDRP
C[N@H+](CCN1CC[NH2+]CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000923283863	611223530	/nfs/dbraw/zinc/22/35/30/611223530.db2.gz	DTUONGXXFUETCW-AWEZNQCLSA-N	2	0	338.408	0.172	20	5		ECBDRP
C[N@H+](CCN1CC[NH2+]CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000923285974	611224740	/nfs/dbraw/zinc/22/47/40/611224740.db2.gz	KIHZIPWQRRBVCU-OAHLLOKOSA-N	2	0	338.408	0.172	20	5		ECBDRP
C[C@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422977583	438623618	/nfs/dbraw/zinc/62/36/18/438623618.db2.gz	FWLPFNOYUAXRCC-QWRGUYRKSA-N	2	0	330.410	0.589	20	5		ECBDRP
[NH3+][C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000516877464	438931400	/nfs/dbraw/zinc/93/14/00/438931400.db2.gz	GFCOVMUYRCAJIL-VXGBXAGGSA-N	2	0	342.421	0.733	20	5		ECBDRP
C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-]	ZINC000905644937	586908244	/nfs/dbraw/zinc/90/82/44/586908244.db2.gz	UUMMKBLGIZWYBG-LSDHHAIUSA-N	2	0	336.436	0.896	20	5		ECBDRP
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1C	ZINC000420462354	209371118	/nfs/dbraw/zinc/37/11/18/209371118.db2.gz	VIHVSIVXNPMKHV-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
CCC[NH+]1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000072630348	436049428	/nfs/dbraw/zinc/04/94/28/436049428.db2.gz	GTHCIXFLURNIKM-HNNXBMFYSA-N	2	0	325.413	0.958	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)nc1	ZINC000595885396	438876117	/nfs/dbraw/zinc/87/61/17/438876117.db2.gz	NIJWNYZNKKEMCW-TZMCWYRMSA-N	2	0	333.392	0.997	20	5		ECBDRP
C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1	ZINC000430643408	210394388	/nfs/dbraw/zinc/39/43/88/210394388.db2.gz	LSWGSFSGCIKNJJ-UHFFFAOYSA-N	2	0	349.391	0.287	20	5		ECBDRP
[NH3+]CCCN(CCC[NH3+])S(=O)(=O)CCc1ccccc1[N+](=O)[O-]	ZINC000420457915	209370322	/nfs/dbraw/zinc/37/03/22/209370322.db2.gz	PADLFHIQQQHEBC-UHFFFAOYSA-N	2	0	344.437	0.467	20	5		ECBDRP
Cc1cc(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1[N+](=O)[O-]	ZINC000420459290	209371298	/nfs/dbraw/zinc/37/12/98/209371298.db2.gz	QSHAEZSZRDHTDH-UHFFFAOYSA-N	2	0	344.437	0.900	20	5		ECBDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000286347794	264391212	/nfs/dbraw/zinc/39/12/12/264391212.db2.gz	IYIIFJCVIAMTLG-LBPRGKRZSA-N	2	0	338.412	0.806	20	5		ECBDRP
CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1	ZINC000530665364	302022194	/nfs/dbraw/zinc/02/21/94/302022194.db2.gz	CWMSPLCYHFJQIJ-HNNXBMFYSA-N	2	0	336.440	0.892	20	5		ECBDRP
Cc1nn(C)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1[N+](=O)[O-]	ZINC000537519031	302151587	/nfs/dbraw/zinc/15/15/87/302151587.db2.gz	YVQBBYVETWVJDY-UHFFFAOYSA-N	2	0	326.401	0.202	20	5		ECBDRP
CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000565358331	438943527	/nfs/dbraw/zinc/94/35/27/438943527.db2.gz	SZVNNAVVLRJVKS-OAHLLOKOSA-N	2	0	325.413	0.862	20	5		ECBDRP
Cc1n[nH]c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000870023010	589990140	/nfs/dbraw/zinc/99/01/40/589990140.db2.gz	IMKGNCXRPSJMJG-VXGBXAGGSA-N	2	0	338.412	0.438	20	5		ECBDRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1	ZINC000430603928	210387259	/nfs/dbraw/zinc/38/72/59/210387259.db2.gz	OVTNOVOVWXVBCP-CYBMUJFWSA-N	2	0	336.392	0.761	20	5		ECBDRP
NC(=O)c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1	ZINC000261626405	165217864	/nfs/dbraw/zinc/21/78/64/165217864.db2.gz	GUYOGXUNHUVMBW-AWEZNQCLSA-N	2	0	333.392	0.173	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000104102433	436557704	/nfs/dbraw/zinc/55/77/04/436557704.db2.gz	INQMKSPJNWYVDO-UHFFFAOYSA-N	2	0	344.437	0.709	20	5		ECBDRP
Cc1nc(N2CC([NH+](C)C)C2)nc(N2CC([NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000273346634	436748299	/nfs/dbraw/zinc/74/82/99/436748299.db2.gz	UPNMSKGBERSNNP-UHFFFAOYSA-N	2	0	335.412	0.194	20	5		ECBDRP
C[NH+](C)CCNC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176224206	437134776	/nfs/dbraw/zinc/13/47/76/437134776.db2.gz	LGBBDDQHVHMEDB-UHFFFAOYSA-N	2	0	338.412	0.181	20	5		ECBDRP
CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000515637146	438877195	/nfs/dbraw/zinc/87/71/95/438877195.db2.gz	DQQLZWLLQONHFU-DZGCQCFKSA-N	2	0	325.413	0.720	20	5		ECBDRP
CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000581424259	439209671	/nfs/dbraw/zinc/20/96/71/439209671.db2.gz	HERSJZNJMYNPLA-UKRRQHHQSA-N	2	0	325.413	0.862	20	5		ECBDRP
[NH3+][C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000571178518	322712790	/nfs/dbraw/zinc/71/27/90/322712790.db2.gz	GQJCKHXMSICCHX-RYUDHWBXSA-N	2	0	342.421	0.733	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1	ZINC000923390116	611236631	/nfs/dbraw/zinc/23/66/31/611236631.db2.gz	SXEAMEMZZWGBSR-HOCLYGCPSA-N	2	0	337.424	0.864	20	5		ECBDRP
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000299422228	296862660	/nfs/dbraw/zinc/86/26/60/296862660.db2.gz	HADHIOOXQGUELV-UHFFFAOYSA-N	2	0	340.428	0.523	20	5		ECBDRP
O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH2+]CC1	ZINC000581878607	439258706	/nfs/dbraw/zinc/25/87/06/439258706.db2.gz	SINDLFOWYHRZDJ-CHWSQXEVSA-N	2	0	336.396	0.296	20	5		ECBDRP
[NH3+][C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000571178516	439481335	/nfs/dbraw/zinc/48/13/35/439481335.db2.gz	GQJCKHXMSICCHX-NEPJUHHUSA-N	2	0	342.421	0.733	20	5		ECBDRP
Cn1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-]	ZINC000870023850	589990440	/nfs/dbraw/zinc/99/04/40/589990440.db2.gz	CLRCQFJMUGHUOV-CHWSQXEVSA-N	2	0	337.424	0.745	20	5		ECBDRP
O=C([C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1	ZINC000886827814	590886684	/nfs/dbraw/zinc/88/66/84/590886684.db2.gz	SAQNZVINLCQFOB-AWEZNQCLSA-N	2	0	333.392	0.634	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1	ZINC000923387101	611236651	/nfs/dbraw/zinc/23/66/51/611236651.db2.gz	UAQJCUHPOAVESR-GOEBONIOSA-N	2	0	337.424	0.864	20	5		ECBDRP
Cc1c(NC(=O)CCN2CC[NH2+]CC[NH2+]CC2)cccc1[N+](=O)[O-]	ZINC000923464982	611246257	/nfs/dbraw/zinc/24/62/57/611246257.db2.gz	TXFWBYJBMQGUNG-UHFFFAOYSA-N	2	0	335.408	0.727	20	5		ECBDRP
CN(CC1CC[NH+](C)CC1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001165040954	721931574	/nfs/dbraw/zinc/93/15/74/721931574.db2.gz	WFYFQAKGZZFOJN-UHFFFAOYSA-N	2	0	349.439	0.572	20	5		ECBDRP
[NH3+]CCCN(CCC[NH3+])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1	ZINC000420451933	438409008	/nfs/dbraw/zinc/40/90/08/438409008.db2.gz	ILFCBTQPQUFIAX-UHFFFAOYSA-N	2	0	344.437	0.467	20	5		ECBDRP
CCC[NH+]1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000521612180	439124532	/nfs/dbraw/zinc/12/45/32/439124532.db2.gz	KOICWDOUPZPZQY-HNNXBMFYSA-N	2	0	325.413	0.864	20	5		ECBDRP
CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000531340868	322038341	/nfs/dbraw/zinc/03/83/41/322038341.db2.gz	ZFJYSMPMHGXNRV-HNNXBMFYSA-N	2	0	336.440	0.892	20	5		ECBDRP
Cc1nc(N[C@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)c1[N+](=O)[O-]	ZINC000343792030	297933120	/nfs/dbraw/zinc/93/31/20/297933120.db2.gz	MVBXRQSFGYUYHM-WDEREUQCSA-N	2	0	339.444	0.261	20	5		ECBDRP
COc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc1[N+](=O)[O-]	ZINC000420451468	438408870	/nfs/dbraw/zinc/40/88/70/438408870.db2.gz	ICNQDQLRCDWZHT-UHFFFAOYSA-N	2	0	346.409	0.292	20	5		ECBDRP
C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1	ZINC000592472328	439235906	/nfs/dbraw/zinc/23/59/06/439235906.db2.gz	ZPOBQNGVUWSRLQ-UHFFFAOYSA-N	2	0	335.408	0.760	20	5		ECBDRP
COc1ccc(OCC[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000592472301	439236836	/nfs/dbraw/zinc/23/68/36/439236836.db2.gz	VGAIXKVKIVFCDY-UHFFFAOYSA-N	2	0	338.408	0.819	20	5		ECBDRP
[NH3+][C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000594582745	439579894	/nfs/dbraw/zinc/57/98/94/439579894.db2.gz	BETRFRJDIUCMLP-NEPJUHHUSA-N	2	0	342.421	0.733	20	5		ECBDRP
C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCOCC[NH3+]	ZINC000600737582	439697449	/nfs/dbraw/zinc/69/74/49/439697449.db2.gz	WMZAADRDZFKPPH-UHFFFAOYSA-N	2	0	338.364	0.800	20	5		ECBDRP
[NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000842482819	589032109	/nfs/dbraw/zinc/03/21/09/589032109.db2.gz	ZNBXIQMTFIIRDR-UHFFFAOYSA-N	2	0	334.373	0.422	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1	ZINC000923359010	611232694	/nfs/dbraw/zinc/23/26/94/611232694.db2.gz	NWMUBLARJPYMES-IJEWVQPXSA-N	2	0	337.424	0.864	20	5		ECBDRP
C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422977582	296021019	/nfs/dbraw/zinc/02/10/19/296021019.db2.gz	FWLPFNOYUAXRCC-MNOVXSKESA-N	2	0	330.410	0.589	20	5		ECBDRP
Cn1cc([N+](=O)[O-])c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1	ZINC000270784389	263271540	/nfs/dbraw/zinc/27/15/40/263271540.db2.gz	KTGFHKFLFBZJFL-UHFFFAOYSA-N	2	0	340.428	0.674	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1	ZINC000365682868	437950055	/nfs/dbraw/zinc/95/00/55/437950055.db2.gz	WOCORRRPDAMKRU-DZGCQCFKSA-N	2	0	333.348	0.701	20	5		ECBDRP
C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000378424560	438384827	/nfs/dbraw/zinc/38/48/27/438384827.db2.gz	FBXFRZCKYFHGOD-HNNXBMFYSA-N	2	0	336.440	0.892	20	5		ECBDRP
CC[NH+]1CCN([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1	ZINC000602778484	439133946	/nfs/dbraw/zinc/13/39/46/439133946.db2.gz	YMXKLEKOUNPBRI-HNNXBMFYSA-N	2	0	336.440	0.812	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1	ZINC000923387103	611236746	/nfs/dbraw/zinc/23/67/46/611236746.db2.gz	UAQJCUHPOAVESR-ZBFHGGJFSA-N	2	0	337.424	0.864	20	5		ECBDRP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422945172	438618481	/nfs/dbraw/zinc/61/84/81/438618481.db2.gz	MQXXCHHBEGTWSQ-FZMZJTMJSA-N	2	0	342.421	0.590	20	5		ECBDRP
Cc1n[nH]c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000264885438	247007068	/nfs/dbraw/zinc/00/70/68/247007068.db2.gz	IUQBWCYFVFLXBP-UHFFFAOYSA-N	2	0	340.428	0.972	20	5		ECBDRP
C[C@@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422939920	438618172	/nfs/dbraw/zinc/61/81/72/438618172.db2.gz	GLTRIYBIFBVKJT-LBPRGKRZSA-N	2	0	344.437	0.980	20	5		ECBDRP
CN1CC[C@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1	ZINC000602612759	439117796	/nfs/dbraw/zinc/11/77/96/439117796.db2.gz	QLZJSEAKMWFCQV-INIZCTEOSA-N	2	0	335.408	0.615	20	5		ECBDRP
Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1	ZINC001022981460	736357193	/nfs/dbraw/zinc/35/71/93/736357193.db2.gz	PTSBAEZKHOXNIS-TXEJJXNPSA-N	2	0	348.407	0.161	20	5		ECBDRP
CN1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)CC1	ZINC000299467805	437080162	/nfs/dbraw/zinc/08/01/62/437080162.db2.gz	LVVDWYOHVIVZQC-UHFFFAOYSA-N	2	0	335.412	0.938	20	5		ECBDRP
C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422943856	438618461	/nfs/dbraw/zinc/61/84/61/438618461.db2.gz	YUIXSBFIFFJUCW-GHMZBOCLSA-N	2	0	330.410	0.589	20	5		ECBDRP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422979800	438623305	/nfs/dbraw/zinc/62/33/05/438623305.db2.gz	KIQGRSWGACEXBP-NWDGAFQWSA-N	2	0	342.421	0.590	20	5		ECBDRP
CN(CC1C[NH+](C)C1)c1ncnc(N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-]	ZINC000603410244	439256577	/nfs/dbraw/zinc/25/65/77/439256577.db2.gz	PRUGEUCHWBYUFM-UHFFFAOYSA-N	2	0	349.439	0.380	20	5		ECBDRP
C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CC[NH+](C)CC1	ZINC000877017986	590433655	/nfs/dbraw/zinc/43/36/55/590433655.db2.gz	YLMQPHNFHMVYIR-NFOMZHRRSA-N	2	0	336.440	0.968	20	5		ECBDRP
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cn1	ZINC000923304230	611226925	/nfs/dbraw/zinc/22/69/25/611226925.db2.gz	PQBUYUADDGARFM-AWEZNQCLSA-N	2	0	333.392	0.490	20	5		ECBDRP
CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1CC[NH+](C)CC1	ZINC001267422216	837393191	/nfs/dbraw/zinc/39/31/91/837393191.db2.gz	GVPVGCZICQAXMJ-UHFFFAOYSA-N	2	0	338.412	0.218	20	5		ECBDRP
C[C@@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422976708	438623369	/nfs/dbraw/zinc/62/33/69/438623369.db2.gz	DQCRABLUCYFBEJ-NSHDSACASA-N	2	0	330.410	0.590	20	5		ECBDRP
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[NH2+]CC2)cc1	ZINC000415089966	438729005	/nfs/dbraw/zinc/72/90/05/438729005.db2.gz	ZKXDDZLVUBUBRU-GFCCVEGCSA-N	2	0	342.421	0.605	20	5		ECBDRP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000554858635	438769314	/nfs/dbraw/zinc/76/93/14/438769314.db2.gz	XYFORWCDHVXUSE-LBPRGKRZSA-N	2	0	338.412	0.806	20	5		ECBDRP
CNc1nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000515513088	438871874	/nfs/dbraw/zinc/87/18/74/438871874.db2.gz	OEVYVCMDUITGJI-UHFFFAOYSA-N	2	0	338.412	0.597	20	5		ECBDRP
COCCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000566910032	439097625	/nfs/dbraw/zinc/09/76/25/439097625.db2.gz	YEZJSDNKXFKHQY-OAHLLOKOSA-N	2	0	341.412	0.243	20	5		ECBDRP
CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1	ZINC000567700366	439167026	/nfs/dbraw/zinc/16/70/26/439167026.db2.gz	KRXHMYYLIKZFMU-AWEZNQCLSA-N	2	0	325.413	0.864	20	5		ECBDRP
CN(CC[NH+](C)C)c1ncnc(N(C)CC[NH+](C)C)c1[N+](=O)[O-]	ZINC000603302075	439234061	/nfs/dbraw/zinc/23/40/61/439234061.db2.gz	KLKPLCWCUBGGJH-UHFFFAOYSA-N	2	0	325.417	0.380	20	5		ECBDRP
[NH3+][C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000594582747	439579241	/nfs/dbraw/zinc/57/92/41/439579241.db2.gz	BETRFRJDIUCMLP-RYUDHWBXSA-N	2	0	342.421	0.733	20	5		ECBDRP
O=[N+]([O-])c1cnc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc1C1C[NH2+]C1	ZINC001167059795	731666428	/nfs/dbraw/zinc/66/64/28/731666428.db2.gz	JWZVOGVJCJCJFD-JTQLQIEISA-N	2	0	329.364	0.724	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1	ZINC000304418320	437159977	/nfs/dbraw/zinc/15/99/77/437159977.db2.gz	FDQLSYRCZUQGMC-SNPRPXQTSA-N	2	0	325.413	0.814	20	5		ECBDRP
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nc1	ZINC000595885393	438877516	/nfs/dbraw/zinc/87/75/16/438877516.db2.gz	NIJWNYZNKKEMCW-OCCSQVGLSA-N	2	0	333.392	0.997	20	5		ECBDRP
O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCN1CC[NH2+]CC1)OCCO2	ZINC000591275057	438996098	/nfs/dbraw/zinc/99/60/98/438996098.db2.gz	HCEOAYYJFRTSGN-UHFFFAOYSA-N	2	0	336.392	0.751	20	5		ECBDRP
C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1	ZINC000521863029	439130717	/nfs/dbraw/zinc/13/07/17/439130717.db2.gz	PYTZHHPBLOVICC-DZGCQCFKSA-N	2	0	325.413	0.864	20	5		ECBDRP
CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000581424260	439209372	/nfs/dbraw/zinc/20/93/72/439209372.db2.gz	HERSJZNJMYNPLA-ZFWWWQNUSA-N	2	0	325.413	0.862	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C[NH+](C)C	ZINC000866011560	589714961	/nfs/dbraw/zinc/71/49/61/589714961.db2.gz	HMKYXEIXYBLEQG-CHWSQXEVSA-N	2	0	347.423	0.813	20	5		ECBDRP
C[NH+](C)C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C	ZINC000866012495	589715194	/nfs/dbraw/zinc/71/51/94/589715194.db2.gz	FCFCHBZAGLCEAM-ZIAGYGMSSA-N	2	0	349.435	0.869	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1	ZINC000923359093	611233424	/nfs/dbraw/zinc/23/34/24/611233424.db2.gz	NWMUBLARJPYMES-OFQRWUPVSA-N	2	0	337.424	0.864	20	5		ECBDRP
C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000422943859	438618928	/nfs/dbraw/zinc/61/89/28/438618928.db2.gz	YUIXSBFIFFJUCW-MNOVXSKESA-N	2	0	330.410	0.589	20	5		ECBDRP
C[C@H](C[C@H](C)[NH3+])[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000422977584	438623606	/nfs/dbraw/zinc/62/36/06/438623606.db2.gz	FWLPFNOYUAXRCC-WDEREUQCSA-N	2	0	330.410	0.589	20	5		ECBDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000554858631	438770075	/nfs/dbraw/zinc/77/00/75/438770075.db2.gz	XYFORWCDHVXUSE-GFCCVEGCSA-N	2	0	338.412	0.806	20	5		ECBDRP
C[NH+](C)C1CN(c2nc(N3CC([NH+](C)C)C3)c([N+](=O)[O-])s2)C1	ZINC000302141682	437138012	/nfs/dbraw/zinc/13/80/12/437138012.db2.gz	PEKLRQVFNDIILG-UHFFFAOYSA-N	2	0	326.426	0.552	20	5		ECBDRP
C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCCC1	ZINC000521863031	439128887	/nfs/dbraw/zinc/12/88/87/439128887.db2.gz	PYTZHHPBLOVICC-UKRRQHHQSA-N	2	0	325.413	0.864	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000531118520	322035636	/nfs/dbraw/zinc/03/56/36/322035636.db2.gz	NBRQGIUYFRHVSA-UHFFFAOYSA-N	2	0	338.408	0.925	20	5		ECBDRP
CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1	ZINC000304418316	437160103	/nfs/dbraw/zinc/16/01/03/437160103.db2.gz	FDQLSYRCZUQGMC-CFVMTHIKSA-N	2	0	325.413	0.814	20	5		ECBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1	ZINC000365635550	437944256	/nfs/dbraw/zinc/94/42/56/437944256.db2.gz	HBBLLCSMWUJGHS-DMRZNYOFSA-N	2	0	335.408	0.568	20	5		ECBDRP
C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CC[NH2+]CC1	ZINC000591577154	439023993	/nfs/dbraw/zinc/02/39/93/439023993.db2.gz	RBQNAMYFEDXKTN-GFCCVEGCSA-N	2	0	349.391	0.333	20	5		ECBDRP
CSC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[NH+](C)CC1	ZINC000520799587	439097476	/nfs/dbraw/zinc/09/74/76/439097476.db2.gz	PRHILNROKZSWKY-ZDUSSCGKSA-N	2	0	343.453	0.569	20	5		ECBDRP
COCCC[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000566910031	439098307	/nfs/dbraw/zinc/09/83/07/439098307.db2.gz	YEZJSDNKXFKHQY-HNNXBMFYSA-N	2	0	341.412	0.243	20	5		ECBDRP
C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000594760238	439604065	/nfs/dbraw/zinc/60/40/65/439604065.db2.gz	PAEUHVPQUNPNJD-UHFFFAOYSA-N	2	0	345.425	0.104	20	5		ECBDRP
O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839612598	586883266	/nfs/dbraw/zinc/88/32/66/586883266.db2.gz	RGFDXKIBNODCAJ-HUUCEWRRSA-N	2	0	333.392	0.375	20	5		ECBDRP
C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2	ZINC000879248545	590573826	/nfs/dbraw/zinc/57/38/26/590573826.db2.gz	VWBVFYIMHKTFHP-HNNXBMFYSA-N	2	0	337.424	0.960	20	5		ECBDRP
C[C@@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422949461	209678929	/nfs/dbraw/zinc/67/89/29/209678929.db2.gz	VDPJGRIXVMWKFW-NSHDSACASA-N	2	0	330.410	0.590	20	5		ECBDRP
COc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1[N+](=O)[O-]	ZINC000420464015	209372035	/nfs/dbraw/zinc/37/20/35/209372035.db2.gz	XEVLGPJBGPJYLP-UHFFFAOYSA-N	2	0	346.409	0.292	20	5		ECBDRP
[NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000420464740	303377626	/nfs/dbraw/zinc/37/76/26/303377626.db2.gz	XYSKOPUZJUDNNT-UHFFFAOYSA-N	2	0	334.373	0.422	20	5		ECBDRP
C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1	ZINC000564865347	438880287	/nfs/dbraw/zinc/88/02/87/438880287.db2.gz	XTCINFALKTYALA-DZGCQCFKSA-N	2	0	341.412	0.243	20	5		ECBDRP
[NH3+][C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000516877462	438932786	/nfs/dbraw/zinc/93/27/86/438932786.db2.gz	GFCOVMUYRCAJIL-NWDGAFQWSA-N	2	0	342.421	0.733	20	5		ECBDRP
CC[NH+]1CCN([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1	ZINC000602778488	439135548	/nfs/dbraw/zinc/13/55/48/439135548.db2.gz	YMXKLEKOUNPBRI-OAHLLOKOSA-N	2	0	336.440	0.812	20	5		ECBDRP
CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1	ZINC000567700367	439166355	/nfs/dbraw/zinc/16/63/55/439166355.db2.gz	KRXHMYYLIKZFMU-CQSZACIVSA-N	2	0	325.413	0.864	20	5		ECBDRP
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(c3ncc[nH]3)CC2)c1	ZINC000568346936	439239119	/nfs/dbraw/zinc/23/91/19/439239119.db2.gz	IGWRVDICWAONLH-CQSZACIVSA-N	2	0	347.375	0.880	20	5		ECBDRP
CNc1nccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1[N+](=O)[O-]	ZINC000594284279	439536233	/nfs/dbraw/zinc/53/62/33/439536233.db2.gz	UGZKYPSRZKJITB-UHFFFAOYSA-N	2	0	338.412	0.597	20	5		ECBDRP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000286347788	264390925	/nfs/dbraw/zinc/39/09/25/264390925.db2.gz	IYIIFJCVIAMTLG-GFCCVEGCSA-N	2	0	338.412	0.806	20	5		ECBDRP
C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1	ZINC000358041107	438129758	/nfs/dbraw/zinc/12/97/58/438129758.db2.gz	FJWXKUJOSJDSSI-MRXNPFEDSA-N	2	0	345.359	0.577	20	5		ECBDRP
C[C@H]1CN(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000358049887	438132504	/nfs/dbraw/zinc/13/25/04/438132504.db2.gz	SFTSZKCMVYQGMQ-RYUDHWBXSA-N	2	0	342.421	0.413	20	5		ECBDRP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000422945173	438619356	/nfs/dbraw/zinc/61/93/56/438619356.db2.gz	MQXXCHHBEGTWSQ-RISCZKNCSA-N	2	0	342.421	0.590	20	5		ECBDRP
Cn1cc(C[NH2+]CCN2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000414868950	438719124	/nfs/dbraw/zinc/71/91/24/438719124.db2.gz	QLEOEYQEFMTJFP-UHFFFAOYSA-N	2	0	344.419	0.990	20	5		ECBDRP
[NH3+][C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000516877463	438932872	/nfs/dbraw/zinc/93/28/72/438932872.db2.gz	GFCOVMUYRCAJIL-RYUDHWBXSA-N	2	0	342.421	0.733	20	5		ECBDRP
C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CC[NH2+]CC1	ZINC000591577155	439023466	/nfs/dbraw/zinc/02/34/66/439023466.db2.gz	RBQNAMYFEDXKTN-LBPRGKRZSA-N	2	0	349.391	0.333	20	5		ECBDRP
[NH3+][C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000571178517	322712849	/nfs/dbraw/zinc/71/28/49/322712849.db2.gz	GQJCKHXMSICCHX-NWDGAFQWSA-N	2	0	342.421	0.733	20	5		ECBDRP