smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCC[NH+](C)C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000597990181	376188128	/nfs/dbraw/zinc/18/81/28/376188128.db2.gz	QGGYLJZCIBTVTI-UHFFFAOYSA-N	2	0	313.362	-0.814	20	5		DBBDRP
CN(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000573490861	377106099	/nfs/dbraw/zinc/10/60/99/377106099.db2.gz	QIISGQZQBDPVBW-CHWSQXEVSA-N	2	0	313.354	-0.153	20	5		DBBDRP
C[NH+](C)C1CN(c2ncnc(N3CC([NH+](C)C)C3)c2[N+](=O)[O-])C1	ZINC000603331824	382640056	/nfs/dbraw/zinc/64/00/56/382640056.db2.gz	JLVXNSLJFWAJJI-UHFFFAOYSA-N	2	0	321.385	-0.115	20	5		DBBDRP
CN(c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)S(=O)(=O)CC[NH3+]	ZINC001164297189	833203726	/nfs/dbraw/zinc/20/37/26/833203726.db2.gz	MBDMPYGJLNFOQE-UHFFFAOYSA-N	2	0	300.340	-0.077	20	5		DBBDRP
[NH3+][C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@@H]1F	ZINC001166928879	833285642	/nfs/dbraw/zinc/28/56/42/833285642.db2.gz	VQSMLZOTHWDJMF-DTWKUNHWSA-N	2	0	311.321	-0.720	20	5		DBBDRP
[NH3+]CCC[C@H]([NH3+])Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001170896188	833362113	/nfs/dbraw/zinc/36/21/13/833362113.db2.gz	CCCRXPOZYGLVDT-SECBINFHSA-N	2	0	311.346	-0.343	20	5		DBBDRP
[NH3+]Cc1ccnn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001155123708	831917779	/nfs/dbraw/zinc/91/77/79/831917779.db2.gz	GHBVBFHYVYDJIA-UHFFFAOYSA-N	2	0	304.314	-0.561	20	5		DBBDRP
COC(=O)[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)(C)[NH3+]	ZINC001155378079	831930020	/nfs/dbraw/zinc/93/00/20/831930020.db2.gz	MMOYLIFBNIFIQQ-SNVBAGLBSA-N	2	0	324.341	-0.238	20	5		DBBDRP
O=[N+]([O-])c1cnc(N[C@H]2COCCC23C[NH2+]C3)nc1C1C[NH2+]C1	ZINC001155470954	831934560	/nfs/dbraw/zinc/93/45/60/831934560.db2.gz	NXRBBCDTBYFZLM-NSHDSACASA-N	2	0	320.353	-0.138	20	5		DBBDRP
O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc1C1C[NH2+]C1	ZINC001155510692	831937167	/nfs/dbraw/zinc/93/71/67/831937167.db2.gz	YKXKCPUMIJWMKP-OPRDCNLKSA-N	2	0	306.326	-0.530	20	5		DBBDRP
C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@@H](C)[NH2+]1	ZINC001158177355	832096867	/nfs/dbraw/zinc/09/68/67/832096867.db2.gz	TYDIIEXKPZUAIK-GHMZBOCLSA-N	2	0	321.385	-0.019	20	5		DBBDRP
C[N+](C)(C)C[C@H](O)CC(=O)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1	ZINC001217841577	978817829	/nfs/dbraw/zinc/81/78/29/978817829.db2.gz	SLGDDOVRMDVRLW-DGAVXFQQSA-N	2	0	301.407	-0.246	20	5		DBBDRP
C[NH+](C)C1CN(c2ncc([N+](=O)[O-])c(N3CC([NH+](C)C)C3)n2)C1	ZINC000603333820	382640050	/nfs/dbraw/zinc/64/00/50/382640050.db2.gz	PCHUZMPQPWYNFD-UHFFFAOYSA-N	2	0	321.385	-0.115	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1	ZINC001333530115	808072244	/nfs/dbraw/zinc/07/22/44/808072244.db2.gz	SFRLGKGYCZKRJB-JSGCOSHPSA-N	2	0	324.385	-0.868	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1	ZINC001333530117	808072527	/nfs/dbraw/zinc/07/25/27/808072527.db2.gz	SFRLGKGYCZKRJB-TZMCWYRMSA-N	2	0	324.385	-0.868	20	5		DBBDRP
O=[N+]([O-])c1c(N[C@@H]2COCCC23C[NH2+]C3)ncnc1C1C[NH2+]C1	ZINC001163073581	833130317	/nfs/dbraw/zinc/13/03/17/833130317.db2.gz	MHBCTASYRUVVFD-SNVBAGLBSA-N	2	0	320.353	-0.138	20	5		DBBDRP
O=[N+]([O-])c1cnc(-n2cnc3c2C[NH2+]CC3)nc1C1C[NH2+]C1	ZINC001164317704	833205584	/nfs/dbraw/zinc/20/55/84/833205584.db2.gz	WTIMFNTXUDAUOY-UHFFFAOYSA-N	2	0	301.310	-0.097	20	5		DBBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@H]2[NH2+]C[C@@H]21	ZINC001165390956	833244524	/nfs/dbraw/zinc/24/45/24/833244524.db2.gz	MKLLWVRYZWZIOS-MNOVXSKESA-N	2	0	319.369	-0.265	20	5		DBBDRP
[NH3+][C@H]1[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]12	ZINC001165382648	833244657	/nfs/dbraw/zinc/24/46/57/833244657.db2.gz	BONTWWPWCOAYMP-ILWJIGKKSA-N	2	0	305.342	-0.812	20	5		DBBDRP
COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001166969043	833288003	/nfs/dbraw/zinc/28/80/03/833288003.db2.gz	SNFWKMKICWMXLM-BDAKNGLRSA-N	2	0	322.325	-0.849	20	5		DBBDRP
Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001170339240	833350926	/nfs/dbraw/zinc/35/09/26/833350926.db2.gz	JHVSFMBPZGSVAB-UHFFFAOYSA-N	2	0	319.325	-0.227	20	5		DBBDRP
C[C@@H]([NH3+])c1ccn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n1	ZINC001158348301	832106253	/nfs/dbraw/zinc/10/62/53/832106253.db2.gz	FKIWGPGBRBVULB-SECBINFHSA-N	2	0	318.341	0.000	20	5		DBBDRP
C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H]1C[NH2+]CCO1	ZINC001159503620	832822628	/nfs/dbraw/zinc/82/26/28/832822628.db2.gz	YKUUOVMTHRCBEA-KWQFWETISA-N	2	0	308.342	-0.140	20	5		DBBDRP
O=C1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1C[NH2+]C1	ZINC001580837570	1020802301	/nfs/dbraw/zinc/80/23/01/1020802301.db2.gz	GIABUUXVPQPXBW-YVNMAJEFSA-N	2	0	320.353	-0.343	20	5		DBBDRP
C[NH+](C)C1(C)CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001165117000	833229077	/nfs/dbraw/zinc/22/90/77/833229077.db2.gz	OHABFGYYGDDLFH-UHFFFAOYSA-N	2	0	321.385	-0.065	20	5		DBBDRP
C[NH+](C)CCOc1cc(-n2nnnc2C[NH3+])ccc1[N+](=O)[O-]	ZINC001168925131	833331453	/nfs/dbraw/zinc/33/14/53/833331453.db2.gz	WKQHTAVFPIPSGG-UHFFFAOYSA-N	2	0	307.314	-0.030	20	5		DBBDRP
O=[N+]([O-])c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc1C1C[NH2+]C1	ZINC001155642985	831944814	/nfs/dbraw/zinc/94/48/14/831944814.db2.gz	ZHPFXRRCOPGXBT-PTRXPTGYSA-N	2	0	306.326	-0.387	20	5		DBBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[NH2+]C2(CC2)C1	ZINC001158933946	832146462	/nfs/dbraw/zinc/14/64/62/832146462.db2.gz	WMONESDRCVVQEQ-UHFFFAOYSA-N	2	0	319.369	-0.263	20	5		DBBDRP
O=[N+]([O-])c1c(NC[C@H]2COCC[NH2+]2)ncnc1N1CC[NH2+]CC1	ZINC001159043841	832152602	/nfs/dbraw/zinc/15/26/02/832152602.db2.gz	YMFYGOXLPPQJGB-JTQLQIEISA-N	2	0	323.357	-0.805	20	5		DBBDRP
[NH3+]CCC[C@H]([NH3+])Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001159780319	832843776	/nfs/dbraw/zinc/84/37/76/832843776.db2.gz	XOMZTJNLKRVUPP-SECBINFHSA-N	3	0	310.362	-0.770	20	5		DBBDRP
C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1	ZINC001218222973	978822590	/nfs/dbraw/zinc/82/25/90/978822590.db2.gz	BQTYSGFBUJBBRM-OCCSQVGLSA-O	2	0	324.401	-0.596	20	5		DBBDRP
Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1	ZINC000539026799	374902272	/nfs/dbraw/zinc/90/22/72/374902272.db2.gz	UDUYIGHXTFXKGE-UHFFFAOYSA-N	2	0	312.374	-0.106	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1	ZINC000521436183	266327390	/nfs/dbraw/zinc/32/73/90/266327390.db2.gz	OAVPSYIJOTWMGH-OLZOCXBDSA-N	2	0	313.358	-0.802	20	5		DBBDRP
O=[N+]([O-])c1cnc(N2CCN3CC[NH2+]C[C@H]3C2)nc1C1C[NH2+]C1	ZINC001164399850	718844553	/nfs/dbraw/zinc/84/45/53/718844553.db2.gz	HYOLHZLKFNWCJW-NSHDSACASA-N	2	0	319.369	-0.835	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1	ZINC001333530114	808072070	/nfs/dbraw/zinc/07/20/70/808072070.db2.gz	SFRLGKGYCZKRJB-GXTWGEPZSA-N	2	0	324.385	-0.868	20	5		DBBDRP
C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001162092420	833074277	/nfs/dbraw/zinc/07/42/77/833074277.db2.gz	DCTRYFTUJBSDGR-JTQLQIEISA-N	2	0	321.385	-0.223	20	5		DBBDRP
O=[N+]([O-])c1c(N[C@H]2COCCC23C[NH2+]C3)ncnc1C1C[NH2+]C1	ZINC001163073580	833130262	/nfs/dbraw/zinc/13/02/62/833130262.db2.gz	MHBCTASYRUVVFD-JTQLQIEISA-N	2	0	320.353	-0.138	20	5		DBBDRP
[NH3+][C@]12C[C@H]1CN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001165314067	833240917	/nfs/dbraw/zinc/24/09/17/833240917.db2.gz	MPXFKMWXQXQGQC-ZANVPECISA-N	2	0	305.342	-0.668	20	5		DBBDRP
C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1	ZINC001170575406	833355987	/nfs/dbraw/zinc/35/59/87/833355987.db2.gz	YMRQCINTYCWFQQ-SCZZXKLOSA-N	2	0	308.342	-0.140	20	5		DBBDRP
C[C@@H](CN1CC[NH2+]CC1)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001154753303	831898510	/nfs/dbraw/zinc/89/85/10/831898510.db2.gz	NWMKHBNVWQXHRG-JTQLQIEISA-N	2	0	321.385	-0.223	20	5		DBBDRP
Cc1cc(C[NH3+])nn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001156038460	831965597	/nfs/dbraw/zinc/96/55/97/831965597.db2.gz	SMEXAOPUYDYXTM-UHFFFAOYSA-N	2	0	318.341	-0.253	20	5		DBBDRP
[NH3+][C@@H](CO)Cc1cncn1-c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-]	ZINC001158206482	832099276	/nfs/dbraw/zinc/09/92/76/832099276.db2.gz	QZGWVPAJBSUOFZ-SSDOTTSWSA-N	2	0	313.701	-0.071	20	5		DBBDRP
C[C@H]([NH3+])c1ccn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n1	ZINC001158348302	832106686	/nfs/dbraw/zinc/10/66/86/832106686.db2.gz	FKIWGPGBRBVULB-VIFPVBQESA-N	2	0	318.341	0.000	20	5		DBBDRP
C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1C[NH2+]CCO1	ZINC001159503621	832822335	/nfs/dbraw/zinc/82/23/35/832822335.db2.gz	YKUUOVMTHRCBEA-LDYMZIIASA-N	2	0	308.342	-0.140	20	5		DBBDRP
CN(CCC[NH+](C)C)CCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000597989308	376188083	/nfs/dbraw/zinc/18/80/83/376188083.db2.gz	CICHQMXRYWHQDC-UHFFFAOYSA-N	2	0	312.374	-0.209	20	5		DBBDRP
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[NH2+]CC[NH2+]CC2)c1	ZINC000923460354	807670858	/nfs/dbraw/zinc/67/08/58/807670858.db2.gz	MQSPJWDLGRQAGF-AWEZNQCLSA-N	2	0	324.381	-0.171	20	5		DBBDRP
[NH3+][C@@]12C[C@@H]1CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001165328034	833241863	/nfs/dbraw/zinc/24/18/63/833241863.db2.gz	PTQDNARSGLHMJY-IINYFYTJSA-N	2	0	319.369	-0.278	20	5		DBBDRP
[NH3+]Cc1cn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])cn1	ZINC001154907102	831906352	/nfs/dbraw/zinc/90/63/52/831906352.db2.gz	VQGNLVHXVXFGQM-UHFFFAOYSA-N	2	0	304.314	-0.561	20	5		DBBDRP
[NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000595109833	375973224	/nfs/dbraw/zinc/97/32/24/375973224.db2.gz	USIRUXUTVMOUTF-UHFFFAOYSA-N	2	0	317.371	-0.322	20	5		DBBDRP
CN(CCC[NH+](C)C)CCNC(=O)c1c([N+](=O)[O-])cnn1C	ZINC000597990385	376187921	/nfs/dbraw/zinc/18/79/21/376187921.db2.gz	UQAVYBPHIXLQHE-UHFFFAOYSA-N	2	0	312.374	-0.058	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1	ZINC001333530116	808071951	/nfs/dbraw/zinc/07/19/51/808071951.db2.gz	SFRLGKGYCZKRJB-OCCSQVGLSA-N	2	0	324.385	-0.868	20	5		DBBDRP
Cc1nnc(C[NH3+])n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001163345608	833148286	/nfs/dbraw/zinc/14/82/86/833148286.db2.gz	ADSBDWLGBZYEHI-UHFFFAOYSA-N	2	0	319.329	-0.858	20	5		DBBDRP
O=[N+]([O-])c1cnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc1C1C[NH2+]C1	ZINC001165274619	833234416	/nfs/dbraw/zinc/23/44/16/833234416.db2.gz	DOAVANNANLIQHC-JQWIXIFHSA-N	2	0	320.353	-0.361	20	5		DBBDRP
COC(=O)[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001165442337	833247559	/nfs/dbraw/zinc/24/75/59/833247559.db2.gz	JUCCEXQDDOZWKE-JTQLQIEISA-N	2	0	322.325	-0.977	20	5		DBBDRP
COC(=O)[C@@H](CCC[NH3+])Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001167898306	833313093	/nfs/dbraw/zinc/31/30/93/833313093.db2.gz	VOARATZOTVVQEC-SECBINFHSA-N	2	0	324.341	-0.236	20	5		DBBDRP
CCOC(=O)CN(CC[NH3+])c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001170994505	833363784	/nfs/dbraw/zinc/36/37/84/833363784.db2.gz	TYEUHJXIUCBWIQ-UHFFFAOYSA-N	2	0	324.341	-0.600	20	5		DBBDRP
O=[N+]([O-])c1cnc(N[C@@H]2COCCC23C[NH2+]C3)nc1C1C[NH2+]C1	ZINC001155470952	831934535	/nfs/dbraw/zinc/93/45/35/831934535.db2.gz	NXRBBCDTBYFZLM-LLVKDONJSA-N	2	0	320.353	-0.138	20	5		DBBDRP
O=[N+]([O-])c1cnc(NC[C@]23C[NH2+]C[C@H]2COC3)nc1C1C[NH2+]C1	ZINC001155514697	831936871	/nfs/dbraw/zinc/93/68/71/831936871.db2.gz	KAHXWWKDEDLDSS-HZMBPMFUSA-N	2	0	320.353	-0.281	20	5		DBBDRP
COC(=O)[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157119823	832023297	/nfs/dbraw/zinc/02/32/97/832023297.db2.gz	JVMWBAYVLQZYOO-SECBINFHSA-N	2	0	324.341	-0.236	20	5		DBBDRP
[NH3+]Cc1cnn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c1	ZINC001157471540	832045455	/nfs/dbraw/zinc/04/54/55/832045455.db2.gz	IZTBDIYHEKZTMC-UHFFFAOYSA-N	2	0	304.314	-0.561	20	5		DBBDRP
C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1	ZINC001158177357	832096339	/nfs/dbraw/zinc/09/63/39/832096339.db2.gz	TYDIIEXKPZUAIK-PHIMTYICSA-N	2	0	321.385	-0.019	20	5		DBBDRP
COC(=O)c1cc([N+](=O)[O-])cnc1-n1cncc1C[C@@H]([NH3+])CO	ZINC001158203731	832099483	/nfs/dbraw/zinc/09/94/83/832099483.db2.gz	PBISKDJJUNFBTD-MRVPVSSYSA-N	2	0	321.293	-0.176	20	5		DBBDRP
COc1nc(-n2cncc2C[C@@H]([NH3+])CO)nc(OC)c1[N+](=O)[O-]	ZINC001158203540	832099701	/nfs/dbraw/zinc/09/97/01/832099701.db2.gz	DJHLRJJVKQMOBV-SSDOTTSWSA-N	2	0	324.297	-0.550	20	5		DBBDRP
[NH3+]CCC[C@@H]([NH3+])Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001159780320	832843675	/nfs/dbraw/zinc/84/36/75/832843675.db2.gz	XOMZTJNLKRVUPP-VIFPVBQESA-N	3	0	310.362	-0.770	20	5		DBBDRP
CN1CC[NH+](CCCOC(=O)C[C@@H](O)C[N+](C)(C)C)CC1	ZINC001206591927	835405073	/nfs/dbraw/zinc/40/50/73/835405073.db2.gz	YBVDMZMZCIMRGL-CQSZACIVSA-N	2	0	302.439	-0.376	20	5		DBBDRP
O=C1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1C[NH2+]C1	ZINC001580837569	1020802227	/nfs/dbraw/zinc/80/22/27/1020802227.db2.gz	GIABUUXVPQPXBW-HSOILSAZSA-N	2	0	320.353	-0.343	20	5		DBBDRP
O=[N+]([O-])c1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncnc1C1C[NH2+]C1	ZINC001163197134	833137326	/nfs/dbraw/zinc/13/73/26/833137326.db2.gz	PGADLPSJKGHAFS-NOZJJQNGSA-N	2	0	306.326	-0.386	20	5		DBBDRP
C[C@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1	ZINC001158177358	832096793	/nfs/dbraw/zinc/09/67/93/832096793.db2.gz	TYDIIEXKPZUAIK-QWRGUYRKSA-N	2	0	321.385	-0.019	20	5		DBBDRP
C[NH+]1CC(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001159217643	832167112	/nfs/dbraw/zinc/16/71/12/832167112.db2.gz	FMZCKHYEUIYJKD-UHFFFAOYSA-N	2	0	307.358	-0.232	20	5		DBBDRP
Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001159301823	832804491	/nfs/dbraw/zinc/80/44/91/832804491.db2.gz	NQCROHYEKRPIPB-UHFFFAOYSA-N	2	0	319.325	-0.227	20	5		DBBDRP
C[N+](C)(C)C[C@H](O)CC(=O)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1	ZINC001217841571	978817183	/nfs/dbraw/zinc/81/71/83/978817183.db2.gz	SLGDDOVRMDVRLW-CRWXNKLISA-N	2	0	301.407	-0.246	20	5		DBBDRP
CN(CCC[NH+](C)C)CCNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000597989913	376187200	/nfs/dbraw/zinc/18/72/00/376187200.db2.gz	NDVDNGNYZUBURH-UHFFFAOYSA-N	2	0	312.374	-0.209	20	5		DBBDRP
C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21	ZINC001164669519	719489661	/nfs/dbraw/zinc/48/96/61/719489661.db2.gz	VGOUDJQGHNAETQ-NEPJUHHUSA-N	2	0	320.353	-0.409	20	5		DBBDRP
[NH3+]C1CCN(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001161872665	833060607	/nfs/dbraw/zinc/06/06/07/833060607.db2.gz	JENGRDQDTOWDTR-UHFFFAOYSA-N	2	0	321.385	-0.093	20	5		DBBDRP
CN(CC[NH+](C)C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001163589903	833158908	/nfs/dbraw/zinc/15/89/08/833158908.db2.gz	KYOCRLZMFKRTSE-UHFFFAOYSA-N	2	0	309.374	-0.208	20	5		DBBDRP
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC[NH+](C)C	ZINC001165794377	833259463	/nfs/dbraw/zinc/25/94/63/833259463.db2.gz	UGSQKZLHCDVJAM-UHFFFAOYSA-N	2	0	312.374	-0.124	20	5		DBBDRP
C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1	ZINC001170575407	833356070	/nfs/dbraw/zinc/35/60/70/833356070.db2.gz	YMRQCINTYCWFQQ-WCBMZHEXSA-N	2	0	308.342	-0.140	20	5		DBBDRP
[NH3+]CCc1nccn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001156477973	831985897	/nfs/dbraw/zinc/98/58/97/831985897.db2.gz	WSKZWKBGDZKDMU-UHFFFAOYSA-N	2	0	318.341	-0.519	20	5		DBBDRP
C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC[NH2+]1	ZINC001156689372	831994641	/nfs/dbraw/zinc/99/46/41/831994641.db2.gz	ZQBACRUQAPKXQP-SNVBAGLBSA-N	2	0	307.358	-0.408	20	5		DBBDRP
Cc1ncc(C[NH3+])c(=N)n1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001156830884	832004005	/nfs/dbraw/zinc/00/40/05/832004005.db2.gz	DSOGNEAFQZNVSB-UHFFFAOYSA-N	2	0	316.325	-0.496	20	5		DBBDRP
N=c1cc(C[NH3+])ccn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001156855589	832004756	/nfs/dbraw/zinc/00/47/56/832004756.db2.gz	FFIVDKUWSKRXGP-UHFFFAOYSA-N	2	0	301.310	-0.200	20	5		DBBDRP
[NH3+]CCc1ccn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n1	ZINC001156898443	832009979	/nfs/dbraw/zinc/00/99/79/832009979.db2.gz	MCJJBCNYKGLSLN-UHFFFAOYSA-N	2	0	318.341	-0.519	20	5		DBBDRP
O=[N+]([O-])c1c(N2C[C@@H]3C[NH2+][C@@H]3C2)ncnc1N1CC[NH2+]CC1	ZINC001157619955	832054636	/nfs/dbraw/zinc/05/46/36/832054636.db2.gz	UGUQVWFCYQNAIU-VHSXEESVSA-N	2	0	305.342	-0.798	20	5		DBBDRP
C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H]1C[NH2+]CCO1	ZINC001159503619	832822089	/nfs/dbraw/zinc/82/20/89/832822089.db2.gz	YKUUOVMTHRCBEA-KCJUWKMLSA-N	2	0	308.342	-0.140	20	5		DBBDRP
Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)CC[NH+](C)C	ZINC000119614225	374406871	/nfs/dbraw/zinc/40/68/71/374406871.db2.gz	QMUYGXSQKSPBQP-UHFFFAOYSA-N	2	0	312.374	-0.106	20	5		DBBDRP
CN1CCN(c2ncc([N+](=O)[O-])c(N3CCN(C)CC3)n2)CC1	ZINC000603265255	382640080	/nfs/dbraw/zinc/64/00/80/382640080.db2.gz	NPCSLYALWXWKHI-UHFFFAOYSA-N	2	0	321.385	-0.112	20	5		DBBDRP
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH2+]CC[NH2+]CC2)c1	ZINC000923460357	807671216	/nfs/dbraw/zinc/67/12/16/807671216.db2.gz	MQSPJWDLGRQAGF-CQSZACIVSA-N	2	0	324.381	-0.171	20	5		DBBDRP
CS(=O)(=O)N(CC[NH3+])c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2	ZINC001162129048	833076490	/nfs/dbraw/zinc/07/64/90/833076490.db2.gz	QVAVRSXFMYDMHK-UHFFFAOYSA-N	2	0	300.340	-0.077	20	5		DBBDRP
[NH3+]C1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001166661757	833277096	/nfs/dbraw/zinc/27/70/96/833277096.db2.gz	RPZRWRFAMCMIAN-UHFFFAOYSA-N	2	0	307.358	-0.278	20	5		DBBDRP
Cc1ncc(C[NH3+])c(=N)n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001167673172	833306182	/nfs/dbraw/zinc/30/61/82/833306182.db2.gz	NTMFJGNVQRVMSY-UHFFFAOYSA-N	2	0	316.325	-0.496	20	5		DBBDRP
[NH2+]=C(NCCCC[NH3+])Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001167881284	833312441	/nfs/dbraw/zinc/31/24/41/833312441.db2.gz	ZRILMYNUXBPHLX-UHFFFAOYSA-N	3	0	308.346	-0.253	20	5		DBBDRP
C[NH+](C)C[C@@H]1COCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001154999266	831911904	/nfs/dbraw/zinc/91/19/04/831911904.db2.gz	LARFMSXCSVKGHE-LLVKDONJSA-N	2	0	322.369	-0.162	20	5		DBBDRP
C[C@H]1[NH2+]CC[C@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001155187942	831920842	/nfs/dbraw/zinc/92/08/42/831920842.db2.gz	VXGYTCWKORLWAC-NXEZZACHSA-N	2	0	307.358	-0.043	20	5		DBBDRP
O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc1C1C[NH2+]C1	ZINC001155487623	831935287	/nfs/dbraw/zinc/93/52/87/831935287.db2.gz	JSZDABVPBWHRLP-CKYFFXLPSA-N	2	0	320.353	-0.282	20	5		DBBDRP
COC(=O)c1cnc(-n2cncc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1	ZINC001158204250	832099448	/nfs/dbraw/zinc/09/94/48/832099448.db2.gz	PDCLVRYLJMKKDE-SECBINFHSA-N	2	0	321.293	-0.176	20	5		DBBDRP
[NH3+][C@@H](CO)Cc1cncn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158209586	832100315	/nfs/dbraw/zinc/10/03/15/832100315.db2.gz	YWHYSJUGSWIMKK-SECBINFHSA-N	2	0	319.325	-0.881	20	5		DBBDRP
[NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001246926416	834462950	/nfs/dbraw/zinc/46/29/50/834462950.db2.gz	SLXLSICSKRBFKS-STQMWFEESA-N	3	0	315.418	-0.452	20	5		DBBDRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC000430630523	266009175	/nfs/dbraw/zinc/00/91/75/266009175.db2.gz	SGMLIMIGJKQLTJ-LLVKDONJSA-N	2	0	310.358	-0.422	20	5		DBBDRP
O=[N+]([O-])c1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncnc1C1C[NH2+]C1	ZINC001163141046	833135201	/nfs/dbraw/zinc/13/52/01/833135201.db2.gz	BLFFYEGTVRLBAT-OPRDCNLKSA-N	2	0	306.326	-0.530	20	5		DBBDRP
O=[N+]([O-])c1cnc(-n2ncc3c2CC[NH2+]C3)nc1C1C[NH2+]C1	ZINC001165222652	833231781	/nfs/dbraw/zinc/23/17/81/833231781.db2.gz	GNFWWJDXBQWGEA-UHFFFAOYSA-N	2	0	301.310	-0.097	20	5		DBBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@@H]2[NH2+]C[C@@H]21	ZINC001165390957	833244532	/nfs/dbraw/zinc/24/45/32/833244532.db2.gz	MKLLWVRYZWZIOS-QWRGUYRKSA-N	2	0	319.369	-0.265	20	5		DBBDRP
CN(CCC[NH+](C)C)CCNC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000597989601	376188175	/nfs/dbraw/zinc/18/81/75/376188175.db2.gz	GSWZOYDXFRQMLD-UHFFFAOYSA-N	2	0	312.374	-0.058	20	5		DBBDRP
CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000573490863	377105923	/nfs/dbraw/zinc/10/59/23/377105923.db2.gz	QIISGQZQBDPVBW-QWHCGFSZSA-N	2	0	313.354	-0.153	20	5		DBBDRP
O=[N+]([O-])c1cnc(N2CCOCC23C[NH2+]C3)nc1C1C[NH2+]C1	ZINC001165287069	833236492	/nfs/dbraw/zinc/23/64/92/833236492.db2.gz	MVVMUZGBOAJZOR-UHFFFAOYSA-N	2	0	306.326	-0.750	20	5		DBBDRP
O=[N+]([O-])c1c(N2CC[C@@H]3[NH2+]CC[C@H]32)ncnc1N1CC[NH2+]CC1	ZINC001165296372	833237989	/nfs/dbraw/zinc/23/79/89/833237989.db2.gz	GDPDWZIFZXQCFH-WDEREUQCSA-N	2	0	319.369	-0.265	20	5		DBBDRP
C[N@@H+]1CC[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001156580277	831991551	/nfs/dbraw/zinc/99/15/51/831991551.db2.gz	KKRZEDKQWFUENM-JTQLQIEISA-N	2	0	307.358	-0.090	20	5		DBBDRP
N=C(NCCCC[NH3+])Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001157101468	832021485	/nfs/dbraw/zinc/02/14/85/832021485.db2.gz	IHFABTJWMVVRQC-UHFFFAOYSA-N	2	0	308.346	-0.253	20	5		DBBDRP
CCC1(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[NH2+]C1	ZINC001157779366	832063985	/nfs/dbraw/zinc/06/39/85/832063985.db2.gz	RWKADKCETGSVQM-UHFFFAOYSA-N	2	0	307.358	-0.042	20	5		DBBDRP
Cc1nc(CC[NH3+])nn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158135278	832092645	/nfs/dbraw/zinc/09/26/45/832092645.db2.gz	WIIJMEVCLTVYGD-UHFFFAOYSA-N	2	0	304.314	-0.538	20	5		DBBDRP
[NH3+][C@@H](CO)Cc1cncn1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001158203533	832099130	/nfs/dbraw/zinc/09/91/30/832099130.db2.gz	CTNAEDOHWLSVOL-SSDOTTSWSA-N	2	0	308.254	-0.054	20	5		DBBDRP
COc1nc(C)c([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)n1	ZINC001158204627	832099364	/nfs/dbraw/zinc/09/93/64/832099364.db2.gz	SCXRCMXWENLBHY-MRVPVSSYSA-N	2	0	308.298	-0.250	20	5		DBBDRP
[NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001246926397	834463078	/nfs/dbraw/zinc/46/30/78/834463078.db2.gz	SLXLSICSKRBFKS-CHWSQXEVSA-N	3	0	315.418	-0.452	20	5		DBBDRP
CN(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000573490864	377105389	/nfs/dbraw/zinc/10/53/89/377105389.db2.gz	QIISGQZQBDPVBW-STQMWFEESA-N	2	0	313.354	-0.153	20	5		DBBDRP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000430621753	266010249	/nfs/dbraw/zinc/01/02/49/266010249.db2.gz	DFRWVRBMXCZVLK-LLVKDONJSA-N	2	0	310.358	-0.422	20	5		DBBDRP
O=[N+]([O-])c1cnc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1C1C[NH2+]C1	ZINC001164399849	718844532	/nfs/dbraw/zinc/84/45/32/718844532.db2.gz	HYOLHZLKFNWCJW-LLVKDONJSA-N	2	0	319.369	-0.835	20	5		DBBDRP
C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21	ZINC001164669521	719489617	/nfs/dbraw/zinc/48/96/17/719489617.db2.gz	VGOUDJQGHNAETQ-NWDGAFQWSA-N	2	0	320.353	-0.409	20	5		DBBDRP
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1	ZINC000923460756	807670761	/nfs/dbraw/zinc/67/07/61/807670761.db2.gz	QPFHVMWXIBGXSD-CYBMUJFWSA-N	2	0	324.381	-0.171	20	5		DBBDRP
O=[N+]([O-])c1cnc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc1C1C[NH2+]C1	ZINC001165284451	833235628	/nfs/dbraw/zinc/23/56/28/833235628.db2.gz	UWXHYAAYJWPXCF-YGRLFVJLSA-N	2	0	320.353	-0.910	20	5		DBBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@@H]2[NH2+]C[C@H]21	ZINC001165390958	833244516	/nfs/dbraw/zinc/24/45/16/833244516.db2.gz	MKLLWVRYZWZIOS-WDEREUQCSA-N	2	0	319.369	-0.265	20	5		DBBDRP
COC(=O)[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001165442341	833247485	/nfs/dbraw/zinc/24/74/85/833247485.db2.gz	JUCCEXQDDOZWKE-SNVBAGLBSA-N	2	0	322.325	-0.977	20	5		DBBDRP
[NH3+][C@@H](CO)Cc1cncn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001169071870	833333945	/nfs/dbraw/zinc/33/39/45/833333945.db2.gz	GWWGEQNTQIDTEW-SECBINFHSA-N	2	0	319.325	-0.881	20	5		DBBDRP
[NH3+]CCC[C@@H]([NH3+])Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001170896189	833362057	/nfs/dbraw/zinc/36/20/57/833362057.db2.gz	CCCRXPOZYGLVDT-VIFPVBQESA-N	2	0	311.346	-0.343	20	5		DBBDRP
NC(=[NH2+])c1nccn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001157621398	832055217	/nfs/dbraw/zinc/05/52/17/832055217.db2.gz	KNVPDLQWGVAZIH-UHFFFAOYSA-N	2	0	317.313	-0.736	20	5		DBBDRP
COC(=O)c1ccnc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-]	ZINC001158206157	832099179	/nfs/dbraw/zinc/09/91/79/832099179.db2.gz	AMIFGXNECLTJPB-MRVPVSSYSA-N	2	0	321.293	-0.176	20	5		DBBDRP
CN(C)C[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000573490862	377106617	/nfs/dbraw/zinc/10/66/17/377106617.db2.gz	QIISGQZQBDPVBW-OLZOCXBDSA-N	2	0	313.354	-0.153	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1	ZINC000521436184	266327702	/nfs/dbraw/zinc/32/77/02/266327702.db2.gz	OAVPSYIJOTWMGH-QWHCGFSZSA-N	2	0	313.358	-0.802	20	5		DBBDRP
C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21	ZINC001164669529	719490173	/nfs/dbraw/zinc/49/01/73/719490173.db2.gz	VGOUDJQGHNAETQ-VXGBXAGGSA-N	2	0	320.353	-0.409	20	5		DBBDRP
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1	ZINC000923460757	807670819	/nfs/dbraw/zinc/67/08/19/807670819.db2.gz	QPFHVMWXIBGXSD-ZDUSSCGKSA-N	2	0	324.381	-0.171	20	5		DBBDRP
O=[N+]([O-])c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncnc1C1C[NH2+]C1	ZINC001163342322	833148144	/nfs/dbraw/zinc/14/81/44/833148144.db2.gz	HWHBNJFDJZUVRY-PTRXPTGYSA-N	2	0	306.326	-0.387	20	5		DBBDRP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@H]2[NH2+]C[C@H]21	ZINC001165390955	833244478	/nfs/dbraw/zinc/24/44/78/833244478.db2.gz	MKLLWVRYZWZIOS-GHMZBOCLSA-N	2	0	319.369	-0.265	20	5		DBBDRP
CN(C[C@@H]1CC[NH2+]C1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001166954573	833287532	/nfs/dbraw/zinc/28/75/32/833287532.db2.gz	DILWOLKJNPBFDJ-LLVKDONJSA-N	2	0	321.385	-0.160	20	5		DBBDRP
C[NH+](C)C[C@H]1COCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001154999267	831912057	/nfs/dbraw/zinc/91/20/57/831912057.db2.gz	LARFMSXCSVKGHE-NSHDSACASA-N	2	0	322.369	-0.162	20	5		DBBDRP
C[NH+]1CCN(C(=N)Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001157920173	832073526	/nfs/dbraw/zinc/07/35/26/832073526.db2.gz	HQRCNWVSGNEFHF-UHFFFAOYSA-N	2	0	320.357	-0.334	20	5		DBBDRP
CN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(C)(C)C[NH3+]	ZINC001159054142	832154085	/nfs/dbraw/zinc/15/40/85/832154085.db2.gz	FRJGBLCMPISDNW-UHFFFAOYSA-N	2	0	309.374	-0.032	20	5		DBBDRP
C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1C[NH2+]CCO1	ZINC001159503618	832821751	/nfs/dbraw/zinc/82/17/51/832821751.db2.gz	YKUUOVMTHRCBEA-GZMMTYOYSA-N	2	0	308.342	-0.140	20	5		DBBDRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000430621754	266009703	/nfs/dbraw/zinc/00/97/03/266009703.db2.gz	DFRWVRBMXCZVLK-NSHDSACASA-N	2	0	310.358	-0.422	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1	ZINC000521436182	266328653	/nfs/dbraw/zinc/32/86/53/266328653.db2.gz	OAVPSYIJOTWMGH-CHWSQXEVSA-N	2	0	313.358	-0.802	20	5		DBBDRP
O=[N+]([O-])c1c(NC[C@]23C[NH2+]C[C@H]2COC3)ncnc1C1C[NH2+]C1	ZINC001163154532	833135151	/nfs/dbraw/zinc/13/51/51/833135151.db2.gz	WAFKCQHDXDWQKR-HZMBPMFUSA-N	2	0	320.353	-0.281	20	5		DBBDRP
C[NH+](C)C1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1	ZINC001163933744	833181510	/nfs/dbraw/zinc/18/15/10/833181510.db2.gz	OOQCBISLZHTETC-UHFFFAOYSA-N	2	0	307.358	-0.455	20	5		DBBDRP
O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CC[NH2+]CC1	ZINC001118198905	829049270	/nfs/dbraw/zinc/04/92/70/829049270.db2.gz	YPWMJROBEZXURZ-UHFFFAOYSA-N	2	0	322.369	-0.140	20	5		DBBDRP
C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1	ZINC001170575408	833356074	/nfs/dbraw/zinc/35/60/74/833356074.db2.gz	YMRQCINTYCWFQQ-WPRPVWTQSA-N	2	0	308.342	-0.140	20	5		DBBDRP
C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@H]1C[NH2+]CCO1	ZINC001170575405	833356101	/nfs/dbraw/zinc/35/61/01/833356101.db2.gz	YMRQCINTYCWFQQ-PSASIEDQSA-N	2	0	308.342	-0.140	20	5		DBBDRP
CN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1CC[NH2+]CC1	ZINC001156172376	831973175	/nfs/dbraw/zinc/97/31/75/831973175.db2.gz	PUCLMISTBPWDJJ-UHFFFAOYSA-N	2	0	321.385	-0.017	20	5		DBBDRP
O=[N+]([O-])c1c(NC[C@@H]2COCC[NH2+]2)ncnc1N1CC[NH2+]CC1	ZINC001159043842	832152870	/nfs/dbraw/zinc/15/28/70/832152870.db2.gz	YMFYGOXLPPQJGB-SNVBAGLBSA-N	2	0	323.357	-0.805	20	5		DBBDRP
CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001159865538	832853319	/nfs/dbraw/zinc/85/33/19/832853319.db2.gz	IKPITXIMIKFACI-UHFFFAOYSA-N	2	0	324.341	-0.600	20	5		DBBDRP
[NH3+]CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000415079192	393473745	/nfs/dbraw/zinc/47/37/45/393473745.db2.gz	JPNDBSQESWDXNW-UHFFFAOYSA-N	2	0	302.356	-0.189	20	5		DBBDRP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC000430630525	266008732	/nfs/dbraw/zinc/00/87/32/266008732.db2.gz	SGMLIMIGJKQLTJ-NSHDSACASA-N	2	0	310.358	-0.422	20	5		DBBDRP
C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21	ZINC001164669527	719490039	/nfs/dbraw/zinc/49/00/39/719490039.db2.gz	VGOUDJQGHNAETQ-RYUDHWBXSA-N	2	0	320.353	-0.409	20	5		DBBDRP
N=c1cc(C[NH3+])ccn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001167692051	833307260	/nfs/dbraw/zinc/30/72/60/833307260.db2.gz	CJSSNCJGARMEJJ-UHFFFAOYSA-N	2	0	301.310	-0.200	20	5		DBBDRP
Cc1nc(CC[NH3+])nn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001168986431	833332185	/nfs/dbraw/zinc/33/21/85/833332185.db2.gz	VLUTXJBWYPXNTD-UHFFFAOYSA-N	2	0	304.314	-0.538	20	5		DBBDRP
O=[N+]([O-])c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc1C1C[NH2+]C1	ZINC001155544784	831938263	/nfs/dbraw/zinc/93/82/63/831938263.db2.gz	BPRNJXVROKNNER-NOZJJQNGSA-N	2	0	306.326	-0.386	20	5		DBBDRP
Cc1cnc(C[NH3+])n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001158162949	832093340	/nfs/dbraw/zinc/09/33/40/832093340.db2.gz	JNIGIGILBHMUBE-UHFFFAOYSA-N	2	0	318.341	-0.253	20	5		DBBDRP
[NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001246926415	834463074	/nfs/dbraw/zinc/46/30/74/834463074.db2.gz	SLXLSICSKRBFKS-QWHCGFSZSA-N	3	0	315.418	-0.452	20	5		DBBDRP
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])n1	ZINC000599108675	376246930	/nfs/dbraw/zinc/24/69/30/376246930.db2.gz	PKWPZEFAZWNCAM-UHFFFAOYSA-N	2	0	320.375	-0.983	20	5		DBBDRP
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1	ZINC000521436185	266327993	/nfs/dbraw/zinc/32/79/93/266327993.db2.gz	OAVPSYIJOTWMGH-STQMWFEESA-N	2	0	313.358	-0.802	20	5		DBBDRP
N=c1ncc(C[NH3+])cn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001161420664	833016169	/nfs/dbraw/zinc/01/61/69/833016169.db2.gz	HESAMJRMDDHANC-UHFFFAOYSA-N	2	0	302.298	-0.805	20	5		DBBDRP
COC(=O)[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(C)(C)[NH3+]	ZINC001162945549	833124693	/nfs/dbraw/zinc/12/46/93/833124693.db2.gz	CYZIQEISDCFHPB-SNVBAGLBSA-N	2	0	324.341	-0.238	20	5		DBBDRP
C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c(C(N)=O)n2)CC1	ZINC001168736809	833327236	/nfs/dbraw/zinc/32/72/36/833327236.db2.gz	QPUGKNMHNWDVDV-UHFFFAOYSA-N	2	0	307.314	-0.317	20	5		DBBDRP
CN(CC[NH3+])CCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001159430799	832813788	/nfs/dbraw/zinc/81/37/88/832813788.db2.gz	JXCQUFZXGCEYAW-UHFFFAOYSA-N	2	0	324.389	-0.903	20	5		DBBDRP
[NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001246926414	834463051	/nfs/dbraw/zinc/46/30/51/834463051.db2.gz	SLXLSICSKRBFKS-OLZOCXBDSA-N	3	0	315.418	-0.452	20	5		DBBDRP