smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C)CC1	ZINC001321832101	916598504	/nfs/dbraw/zinc/59/85/04/916598504.db2.gz	MVHQPUJBQMOUNL-SNVBAGLBSA-N	1	0	311.346	-1.062	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC001326338766	916915228	/nfs/dbraw/zinc/91/52/28/916915228.db2.gz	BASIIOXBACUIQD-JTQLQIEISA-N	1	0	309.330	-1.308	20	5		DABDRO
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001326911102	916966763	/nfs/dbraw/zinc/96/67/63/916966763.db2.gz	RUFFTJJDHUAPMJ-JTQLQIEISA-N	1	0	311.346	-1.062	20	5		DABDRO
Cc1nn(C)c(C(=O)NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001328222777	917071185	/nfs/dbraw/zinc/07/11/85/917071185.db2.gz	GVKWSUPEFJIPET-UHFFFAOYSA-N	1	0	310.314	-1.202	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001449090322	929537391	/nfs/dbraw/zinc/53/73/91/929537391.db2.gz	SBGWYSWRNXKIHP-VHSXEESVSA-N	1	0	310.314	-1.146	20	5		DABDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CCN2C1=O	ZINC000574823723	372872424	/nfs/dbraw/zinc/87/24/24/372872424.db2.gz	MTQNGACWJOTYRR-RKDXNWHRSA-N	1	0	308.298	-1.438	20	5		DABDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000580096601	372917646	/nfs/dbraw/zinc/91/76/46/372917646.db2.gz	KHQBDBXSFFBWIU-WPRPVWTQSA-N	1	0	308.298	-1.438	20	5		DABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])n1	ZINC000599101851	373035437	/nfs/dbraw/zinc/03/54/37/373035437.db2.gz	NKMFJYYZEPKPFB-QMMMGPOBSA-N	1	0	318.359	-1.408	20	5		DABDRO
C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285466	782097912	/nfs/dbraw/zinc/09/79/12/782097912.db2.gz	MUSPDQBNALTITL-GRYCIOLGSA-N	1	0	300.315	-1.030	20	5		DABDRO
C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285472	782100238	/nfs/dbraw/zinc/10/02/38/782100238.db2.gz	MUSPDQBNALTITL-SDDRHHMPSA-N	1	0	300.315	-1.030	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c1	ZINC000347330476	545762704	/nfs/dbraw/zinc/76/27/04/545762704.db2.gz	JDVQSYVUYRYBTP-JFGNBEQYSA-N	1	0	300.315	-1.030	20	5		DABDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000428213448	545823904	/nfs/dbraw/zinc/82/39/04/545823904.db2.gz	SMKWXDHAEYIKII-UHFFFAOYSA-N	1	0	310.314	-1.319	20	5		DABDRO
[NH3+]CC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000320194262	677682476	/nfs/dbraw/zinc/68/24/76/677682476.db2.gz	GPLSOPGNSBPVDD-UHFFFAOYSA-N	1	0	322.325	-1.287	20	5		DABDRO
C[NH+]1CCN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001115894069	782654717	/nfs/dbraw/zinc/65/47/17/782654717.db2.gz	XDHWXHIMRMCRKV-UHFFFAOYSA-N	1	0	311.346	-1.060	20	5		DABDRO
NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1	ZINC001167077302	775124614	/nfs/dbraw/zinc/12/46/14/775124614.db2.gz	HQJVXRYWQMBMEB-SECBINFHSA-N	1	0	308.298	-1.238	20	5		DABDRO
CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126939425	775666749	/nfs/dbraw/zinc/66/67/49/775666749.db2.gz	XYMDGXFKBQJMNM-RKDXNWHRSA-N	1	0	308.360	-1.703	20	5		DABDRO
O=[N+]([O-])c1c(N2C[C@H](O)[C@H](CO)C2)ncnc1N1CC[NH2+]CC1	ZINC001164533999	776122368	/nfs/dbraw/zinc/12/23/68/776122368.db2.gz	XSOAWWZRGUDGET-UWVGGRQHSA-N	1	0	324.341	-1.416	20	5		DABDRO
NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001169003088	776283190	/nfs/dbraw/zinc/28/31/90/776283190.db2.gz	NCXRCFPWDNPBEM-RKDXNWHRSA-N	1	0	315.330	-2.261	20	5		DABDRO
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1	ZINC001168983758	776284259	/nfs/dbraw/zinc/28/42/59/776284259.db2.gz	LDYDNAMRXVHIRG-YUQPVLSZSA-N	1	0	306.315	-2.179	20	5		DABDRO
O=C(NCCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775376	779758681	/nfs/dbraw/zinc/75/86/81/779758681.db2.gz	QBFJPJROCWQBIJ-NXEZZACHSA-N	1	0	312.326	-1.104	20	5		DABDRO
CN(C[C@@H](O)CO)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001165529151	779886519	/nfs/dbraw/zinc/88/65/19/779886519.db2.gz	NKMIAGHCLGMQOQ-SECBINFHSA-N	1	0	312.330	-1.416	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1	ZINC001256176305	780508354	/nfs/dbraw/zinc/50/83/54/780508354.db2.gz	UIXLNQWQEBTKLZ-MVWJERBFSA-N	1	0	300.315	-1.173	20	5		DABDRO
CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001323443354	916724320	/nfs/dbraw/zinc/72/43/20/916724320.db2.gz	RGRPOOAKIWHIQH-RKDXNWHRSA-N	1	0	320.371	-1.561	20	5		DABDRO
COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001327122430	916991509	/nfs/dbraw/zinc/99/15/09/916991509.db2.gz	ZAQCBHXMLOXGGR-MRVPVSSYSA-N	1	0	312.286	-1.450	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@@H]2CC[NH2+]C2)CC1	ZINC001328524710	917092911	/nfs/dbraw/zinc/09/29/11/917092911.db2.gz	LEZYHKRXIGZWIQ-SNVBAGLBSA-N	1	0	309.330	-1.308	20	5		DABDRO
CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1	ZINC001346017293	917868766	/nfs/dbraw/zinc/86/87/66/917868766.db2.gz	MHZUQEXYPQEADM-JTQLQIEISA-N	1	0	309.326	-1.142	20	5		DABDRO
CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1	ZINC001346017314	917868814	/nfs/dbraw/zinc/86/88/14/917868814.db2.gz	MHZUQEXYPQEADM-SNVBAGLBSA-N	1	0	309.326	-1.142	20	5		DABDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC(=O)N1CC[NH2+]CC1	ZINC000583989034	372773741	/nfs/dbraw/zinc/77/37/41/372773741.db2.gz	XLFOXJUERJYZFG-UHFFFAOYSA-N	1	0	323.309	-1.696	20	5		DABDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000594878729	372995509	/nfs/dbraw/zinc/99/55/09/372995509.db2.gz	IHPSQDUHFBPMGG-GXSJLCMTSA-N	1	0	322.325	-1.048	20	5		DABDRO
NC(=O)c1ccc(CN(CC[NH3+])C[C@H](O)CO)c([N+](=O)[O-])c1	ZINC000595902256	373003682	/nfs/dbraw/zinc/00/36/82/373003682.db2.gz	PSKNEIWYSHAHMZ-NSHDSACASA-N	1	0	312.326	-1.192	20	5		DABDRO
CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000315972856	373082978	/nfs/dbraw/zinc/08/29/78/373082978.db2.gz	YLHXPZINTAUWBR-VHSXEESVSA-N	1	0	311.298	-1.111	20	5		DABDRO
[NH3+]CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262438402	373113925	/nfs/dbraw/zinc/11/39/25/373113925.db2.gz	MOZMCTBCKYJQME-UHFFFAOYSA-N	1	0	302.312	-1.052	20	5		DABDRO
CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000405386949	373636609	/nfs/dbraw/zinc/63/66/09/373636609.db2.gz	NFZQMQCQNMMVEY-JTQLQIEISA-N	1	0	321.359	-1.367	20	5		DABDRO
O=C1NC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12	ZINC000175889729	263230085	/nfs/dbraw/zinc/23/00/85/263230085.db2.gz	YTEQBGSLWXEIIU-KOLCDFICSA-N	1	0	310.314	-1.138	20	5		DABDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC(=O)N1CC[NH2+]CC1	ZINC000428187938	263315669	/nfs/dbraw/zinc/31/56/69/263315669.db2.gz	YRHPFPUREOMQAQ-UHFFFAOYSA-N	1	0	324.341	-1.010	20	5		DABDRO
C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285470	782099898	/nfs/dbraw/zinc/09/98/98/782099898.db2.gz	MUSPDQBNALTITL-IJLUTSLNSA-N	1	0	300.315	-1.030	20	5		DABDRO
C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001058707894	677686985	/nfs/dbraw/zinc/68/69/85/677686985.db2.gz	SEZQXDLZKBNSJL-GHMZBOCLSA-N	1	0	316.358	-1.460	20	5		DABDRO
C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001045713597	678470127	/nfs/dbraw/zinc/47/01/27/678470127.db2.gz	LKFGSIMYDZEWNZ-NXEZZACHSA-N	1	0	314.342	-1.707	20	5		DABDRO
C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001057544396	678728153	/nfs/dbraw/zinc/72/81/53/678728153.db2.gz	BMBKJHWAENZEHS-GHMZBOCLSA-N	1	0	316.358	-1.460	20	5		DABDRO
NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001200462366	782198934	/nfs/dbraw/zinc/19/89/34/782198934.db2.gz	YBQDXZNZEANMCY-RKDXNWHRSA-N	1	0	313.314	-1.573	20	5		DABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CNC(N)=O	ZINC001154457539	782271233	/nfs/dbraw/zinc/27/12/33/782271233.db2.gz	KIQBOWMIGOQVNP-UHFFFAOYSA-N	1	0	313.318	-1.408	20	5		DABDRO
NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001098366206	782442032	/nfs/dbraw/zinc/44/20/32/782442032.db2.gz	WYCZYJIYPIICDL-GHMZBOCLSA-N	1	0	314.342	-1.578	20	5		DABDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCCO)nn2)C1	ZINC001105235823	775294764	/nfs/dbraw/zinc/29/47/64/775294764.db2.gz	UZKZVQJBVWXHQO-VXGBXAGGSA-N	1	0	324.341	-1.201	20	5		DABDRO
O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126938681	775666087	/nfs/dbraw/zinc/66/60/87/775666087.db2.gz	GNTJPSQXKFJKPX-RKDXNWHRSA-N	1	0	313.314	-1.701	20	5		DABDRO
CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126939195	775666130	/nfs/dbraw/zinc/66/61/30/775666130.db2.gz	RAAMFYPPBMHWKS-NXEZZACHSA-N	1	0	322.387	-1.361	20	5		DABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCNC(=O)C1	ZINC001126936688	775666901	/nfs/dbraw/zinc/66/69/01/775666901.db2.gz	QOLSHZFVFSOWQO-RKDXNWHRSA-N	1	0	313.314	-2.684	20	5		DABDRO
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)Cn1nccn1	ZINC001128268975	775939225	/nfs/dbraw/zinc/93/92/25/775939225.db2.gz	FTJODJUJWGHUEW-UHFFFAOYSA-N	1	0	308.302	-1.174	20	5		DABDRO
O=[N+]([O-])c1c(N2C[C@H](CO)[C@H](O)C2)ncnc1N1CC[NH2+]CC1	ZINC001164533996	776121810	/nfs/dbraw/zinc/12/18/10/776121810.db2.gz	XSOAWWZRGUDGET-NXEZZACHSA-N	1	0	324.341	-1.416	20	5		DABDRO
NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001169003087	776283344	/nfs/dbraw/zinc/28/33/44/776283344.db2.gz	NCXRCFPWDNPBEM-IUCAKERBSA-N	1	0	315.330	-2.261	20	5		DABDRO
NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001169003085	776284177	/nfs/dbraw/zinc/28/41/77/776284177.db2.gz	NCXRCFPWDNPBEM-BDAKNGLRSA-N	1	0	315.330	-2.261	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	ZINC001303190403	778097344	/nfs/dbraw/zinc/09/73/44/778097344.db2.gz	PVQZJTZKQSZJJX-VHSXEESVSA-N	1	0	310.314	-1.146	20	5		DABDRO
O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCOCC1	ZINC001157767146	779758714	/nfs/dbraw/zinc/75/87/14/779758714.db2.gz	ICWIKPBSKMVKSE-GHMZBOCLSA-N	1	0	314.342	-1.394	20	5		DABDRO
COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767853	779758886	/nfs/dbraw/zinc/75/88/86/779758886.db2.gz	XVUUNHHYEQOHGH-GHMZBOCLSA-N	1	0	316.358	-1.100	20	5		DABDRO
CN(CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])S(C)(=O)=O	ZINC001157767283	779759021	/nfs/dbraw/zinc/75/90/21/779759021.db2.gz	KURJROFZGSJPQY-NXEZZACHSA-N	1	0	322.387	-1.361	20	5		DABDRO
CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767547	779759038	/nfs/dbraw/zinc/75/90/38/779759038.db2.gz	QGXXCZDNXHSEPZ-RKDXNWHRSA-N	1	0	315.330	-1.407	20	5		DABDRO
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCOC[C@H](O)C1	ZINC001164507993	779879449	/nfs/dbraw/zinc/87/94/49/779879449.db2.gz	USGKXCMCTVVZPP-SNVBAGLBSA-N	1	0	324.341	-1.008	20	5		DABDRO
COc1nc(N2CCNC(=O)C23C[NH2+]C3)nc(OC)c1[N+](=O)[O-]	ZINC001165298745	779882070	/nfs/dbraw/zinc/88/20/70/779882070.db2.gz	VHXOYDUQPCAFJV-UHFFFAOYSA-N	1	0	324.297	-1.320	20	5		DABDRO
Cc1nc(C(N)=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(=O)[nH]1	ZINC001234469263	780408898	/nfs/dbraw/zinc/40/88/98/780408898.db2.gz	GKEWYUMQVWHWCA-MRVPVSSYSA-O	1	0	313.334	-1.048	20	5		DABDRO
O=C(NCCN1CC[NH+](CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001316963380	916247351	/nfs/dbraw/zinc/24/73/51/916247351.db2.gz	MVLKFKFTOBCYDD-VXGBXAGGSA-N	1	0	300.359	-1.232	20	5		DABDRO
COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CC[NH2+]CC2)c1=O	ZINC001328181035	917067523	/nfs/dbraw/zinc/06/75/23/917067523.db2.gz	FHWQDOYKZMOPTQ-UHFFFAOYSA-N	1	0	324.293	-1.025	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O)(CO)CC2)c1	ZINC001333615207	917453379	/nfs/dbraw/zinc/45/33/79/917453379.db2.gz	JYWDBXYNCZPKGR-NSHDSACASA-N	1	0	300.315	-1.029	20	5		DABDRO
C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001351556470	918097855	/nfs/dbraw/zinc/09/78/55/918097855.db2.gz	BIDSHJXEVVHOJZ-WCBMZHEXSA-N	1	0	310.314	-1.226	20	5		DABDRO
O=C1CN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000574632149	373253375	/nfs/dbraw/zinc/25/33/75/373253375.db2.gz	XQJQJKUFCHYZRY-NSHDSACASA-N	1	0	312.330	-1.826	20	5		DABDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000358073494	409682265	/nfs/dbraw/zinc/68/22/65/409682265.db2.gz	PXGLCRIGPIEOTD-CYBMUJFWSA-N	1	0	310.310	-1.061	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2[C@H](CO)CC[C@H]2CO)c1	ZINC000347330477	263243733	/nfs/dbraw/zinc/24/37/33/263243733.db2.gz	JDVQSYVUYRYBTP-NHCYSSNCSA-N	1	0	300.315	-1.030	20	5		DABDRO
Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000996429236	663486599	/nfs/dbraw/zinc/48/65/99/663486599.db2.gz	NCDKCDFYXMUQAN-NXEZZACHSA-N	1	0	309.330	-1.044	20	5		DABDRO
Cn1nccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001272161704	775642705	/nfs/dbraw/zinc/64/27/05/775642705.db2.gz	AELWOVBXICYTIH-VXGBXAGGSA-N	1	0	311.342	-1.004	20	5		DABDRO
CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936857	775665533	/nfs/dbraw/zinc/66/55/33/775665533.db2.gz	VBUZIDHPKVZDBC-RKDXNWHRSA-N	1	0	315.330	-1.407	20	5		DABDRO
CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936649	775667025	/nfs/dbraw/zinc/66/70/25/775667025.db2.gz	OLMHSPBUMBPIIB-HTQZYQBOSA-N	1	0	301.303	-1.797	20	5		DABDRO
NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001169003086	776283198	/nfs/dbraw/zinc/28/31/98/776283198.db2.gz	NCXRCFPWDNPBEM-DTWKUNHWSA-N	1	0	315.330	-2.261	20	5		DABDRO
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1	ZINC001168983757	776283683	/nfs/dbraw/zinc/28/36/83/776283683.db2.gz	LDYDNAMRXVHIRG-RWHZVYADSA-N	1	0	306.315	-2.179	20	5		DABDRO
O=C1CO[C@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CN1	ZINC001169276179	776286130	/nfs/dbraw/zinc/28/61/30/776286130.db2.gz	WVSVEPOEOHKTQJ-QMMMGPOBSA-N	1	0	308.298	-1.002	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1	ZINC001308021030	778102324	/nfs/dbraw/zinc/10/23/24/778102324.db2.gz	DFMYQKIYKZNWDC-JFGNBEQYSA-N	1	0	300.315	-1.315	20	5		DABDRO
CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767260	779758658	/nfs/dbraw/zinc/75/86/58/779758658.db2.gz	KBVDIBGCJVTUMK-VXGBXAGGSA-N	1	0	316.358	-1.100	20	5		DABDRO
O=[N+]([O-])c1c(N2C[C@H](O)C[C@@H]2CO)ncnc1N1CC[NH2+]CC1	ZINC001159247018	779790666	/nfs/dbraw/zinc/79/06/66/779790666.db2.gz	QCRVNMZZGSKXHE-NXEZZACHSA-N	1	0	324.341	-1.274	20	5		DABDRO
N[C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H]2NCN[C@H]21	ZINC001162445420	779858467	/nfs/dbraw/zinc/85/84/67/779858467.db2.gz	UGRMVEVTDKOPGQ-AXFHLTTASA-N	1	0	321.345	-2.432	20	5		DABDRO
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCOC[C@@H](O)C1	ZINC001164507992	779879688	/nfs/dbraw/zinc/87/96/88/779879688.db2.gz	USGKXCMCTVVZPP-JTQLQIEISA-N	1	0	324.341	-1.008	20	5		DABDRO
CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001265538882	780603779	/nfs/dbraw/zinc/60/37/79/780603779.db2.gz	PABZLXHLGMNBHS-UTINFBMNSA-N	1	0	305.356	-1.067	20	5		DABDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001138062001	916143103	/nfs/dbraw/zinc/14/31/03/916143103.db2.gz	WPYHYAXJXNVVSX-ZDUSSCGKSA-N	1	0	310.310	-1.061	20	5		DABDRO
[NH3+]CC12CC(C1)CN2C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001327472276	917018170	/nfs/dbraw/zinc/01/81/70/917018170.db2.gz	SEOZBERMSCSCSP-UHFFFAOYSA-N	1	0	322.325	-1.143	20	5		DABDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@H+]1CC[C@H](O)C1	ZINC000600808194	372845906	/nfs/dbraw/zinc/84/59/06/372845906.db2.gz	LWQHXXBINVDREM-NSHDSACASA-N	1	0	310.310	-1.061	20	5		DABDRO
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCC[NH+](C)C	ZINC000569961132	372906485	/nfs/dbraw/zinc/90/64/85/372906485.db2.gz	ZWTQWXJXMTUTDS-SECBINFHSA-N	1	0	312.330	-1.026	20	5		DABDRO
NC(=O)c1ccc(CN(CC[NH3+])C[C@@H](O)CO)c([N+](=O)[O-])c1	ZINC000595902255	373004392	/nfs/dbraw/zinc/00/43/92/373004392.db2.gz	PSKNEIWYSHAHMZ-LLVKDONJSA-N	1	0	312.326	-1.192	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594027988	372987889	/nfs/dbraw/zinc/98/78/89/372987889.db2.gz	YGBGLHFNQBIWHX-UHTWSYAYSA-N	1	0	311.342	-1.097	20	5		DABDRO
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)NCC[NH+](C)C	ZINC000569961136	373082514	/nfs/dbraw/zinc/08/25/14/373082514.db2.gz	ZWTQWXJXMTUTDS-VIFPVBQESA-N	1	0	312.330	-1.026	20	5		DABDRO
[NH3+]CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262445166	373113456	/nfs/dbraw/zinc/11/34/56/373113456.db2.gz	CNOYUAKVLFDSJB-UHFFFAOYSA-N	1	0	302.312	-1.052	20	5		DABDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@H+]1CC[C@@H](O)C1	ZINC000600534186	373688773	/nfs/dbraw/zinc/68/87/73/373688773.db2.gz	LWQHXXBINVDREM-LLVKDONJSA-N	1	0	310.310	-1.061	20	5		DABDRO
O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1	ZINC000518529398	409401987	/nfs/dbraw/zinc/40/19/87/409401987.db2.gz	HYRDBNRDBWRQMP-SNVBAGLBSA-N	1	0	310.314	-1.224	20	5		DABDRO
C[NH+](C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1O	ZINC000518009980	263284413	/nfs/dbraw/zinc/28/44/13/263284413.db2.gz	LOHNXFLPUFFHLW-QWRGUYRKSA-N	1	0	310.310	-1.110	20	5		DABDRO
CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000428200514	263320489	/nfs/dbraw/zinc/32/04/89/263320489.db2.gz	QEKPSVSNFSJNDJ-UHFFFAOYSA-N	1	0	310.314	-1.319	20	5		DABDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CCN2C1=O	ZINC000574823706	332434962	/nfs/dbraw/zinc/43/49/62/332434962.db2.gz	MTQNGACWJOTYRR-DTWKUNHWSA-N	1	0	308.298	-1.438	20	5		DABDRO
[NH3+]CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000564729040	332541163	/nfs/dbraw/zinc/54/11/63/332541163.db2.gz	JELZXCRYRLILIC-UHFFFAOYSA-N	1	0	302.312	-1.052	20	5		DABDRO
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C	ZINC000582203805	335783824	/nfs/dbraw/zinc/78/38/24/335783824.db2.gz	UJJFYTHVYJLLRZ-SECBINFHSA-N	1	0	312.330	-1.026	20	5		DABDRO
Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000983650984	662696777	/nfs/dbraw/zinc/69/67/77/662696777.db2.gz	ZIANMGPNBAAXNT-ZYUZMQFOSA-N	1	0	309.330	-1.140	20	5		DABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C(N)=O)CC1	ZINC000996941808	663498936	/nfs/dbraw/zinc/49/89/36/663498936.db2.gz	NJXFEXAHIJBWSG-UHFFFAOYSA-N	1	0	310.314	-1.106	20	5		DABDRO
CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001267194228	775210743	/nfs/dbraw/zinc/21/07/43/775210743.db2.gz	KYMKIRKAJFPABS-HTQZYQBOSA-N	1	0	301.303	-1.845	20	5		DABDRO
Cn1nncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001272162066	775643382	/nfs/dbraw/zinc/64/33/82/775643382.db2.gz	FYLBYEJXOYJAST-GHMZBOCLSA-N	1	0	312.330	-1.609	20	5		DABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NC1CC1	ZINC001126936206	775664387	/nfs/dbraw/zinc/66/43/87/775664387.db2.gz	ANOFQNOZDBACQD-RKDXNWHRSA-N	1	0	313.314	-1.654	20	5		DABDRO
COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CC[NH2+]CC2)c1	ZINC001118198446	776078221	/nfs/dbraw/zinc/07/82/21/776078221.db2.gz	WBXMQUVZUDJEQF-UHFFFAOYSA-N	1	0	324.293	-1.025	20	5		DABDRO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH+](CCO)CCO)CC1	ZINC001098364758	776203621	/nfs/dbraw/zinc/20/36/21/776203621.db2.gz	BUEBAZIQMFXRRI-VXGBXAGGSA-N	1	0	301.343	-1.071	20	5		DABDRO
O=C1CO[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CN1	ZINC001169276177	776286852	/nfs/dbraw/zinc/28/68/52/776286852.db2.gz	WVSVEPOEOHKTQJ-MRVPVSSYSA-N	1	0	308.298	-1.002	20	5		DABDRO
NCc1ncn(-c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n1	ZINC001157928094	776495551	/nfs/dbraw/zinc/49/55/51/776495551.db2.gz	AGLQAGQWGNQIEM-UHFFFAOYSA-N	1	0	305.302	-1.166	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1	ZINC001308021031	778102466	/nfs/dbraw/zinc/10/24/66/778102466.db2.gz	DFMYQKIYKZNWDC-UMNHJUIQSA-N	1	0	300.315	-1.315	20	5		DABDRO
O=C1CNCCN1CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001161024678	779824540	/nfs/dbraw/zinc/82/45/40/779824540.db2.gz	HFOBVLFOZCTKPR-UHFFFAOYSA-N	1	0	321.341	-1.085	20	5		DABDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)n1	ZINC001165298334	779882134	/nfs/dbraw/zinc/88/21/34/779882134.db2.gz	PDSHPPFGSVMZPI-UHFFFAOYSA-N	1	0	308.298	-1.020	20	5		DABDRO
NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN1	ZINC001166725096	779891565	/nfs/dbraw/zinc/89/15/65/779891565.db2.gz	BJUADYGMEVEQBP-QMMMGPOBSA-N	1	0	307.314	-1.665	20	5		DABDRO
NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN1	ZINC001166725094	779891902	/nfs/dbraw/zinc/89/19/02/779891902.db2.gz	BJUADYGMEVEQBP-MRVPVSSYSA-N	1	0	307.314	-1.665	20	5		DABDRO
CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001264985192	780590042	/nfs/dbraw/zinc/59/00/42/780590042.db2.gz	PNAJCZNLJYOFJI-RKDXNWHRSA-N	1	0	315.330	-1.455	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1	ZINC001171229183	781387046	/nfs/dbraw/zinc/38/70/46/781387046.db2.gz	IYHXJEFUUPHEMZ-WCQGTBRESA-N	1	0	300.315	-1.173	20	5		DABDRO
C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C)CC1	ZINC001321832099	916599296	/nfs/dbraw/zinc/59/92/96/916599296.db2.gz	MVHQPUJBQMOUNL-JTQLQIEISA-N	1	0	311.346	-1.062	20	5		DABDRO
C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001326911279	916966932	/nfs/dbraw/zinc/96/69/32/916966932.db2.gz	RUFFTJJDHUAPMJ-SNVBAGLBSA-N	1	0	311.346	-1.062	20	5		DABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)n1	ZINC001328719175	917106476	/nfs/dbraw/zinc/10/64/76/917106476.db2.gz	RRJBWZDCYSTRSF-ZETCQYMHSA-N	1	0	305.316	-1.324	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(O)(CO)CC2)c1	ZINC001333615206	917454276	/nfs/dbraw/zinc/45/42/76/917454276.db2.gz	JYWDBXYNCZPKGR-LLVKDONJSA-N	1	0	300.315	-1.029	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1	ZINC001449090294	929536738	/nfs/dbraw/zinc/53/67/38/929536738.db2.gz	SBGWYSWRNXKIHP-NXEZZACHSA-N	1	0	310.314	-1.146	20	5		DABDRO
CN1CC[NH+](CC2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1	ZINC001556753282	930081003	/nfs/dbraw/zinc/08/10/03/930081003.db2.gz	WZXBTTKBWNUSAQ-UHFFFAOYSA-N	1	0	323.357	-1.108	20	5		DABDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000580096598	372916117	/nfs/dbraw/zinc/91/61/17/372916117.db2.gz	KHQBDBXSFFBWIU-PSASIEDQSA-N	1	0	308.298	-1.438	20	5		DABDRO
Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)N1CC[NH2+]CC1	ZINC000566099548	372934593	/nfs/dbraw/zinc/93/45/93/372934593.db2.gz	WFAKPLMPWWZLFU-UHFFFAOYSA-N	1	0	310.314	-1.352	20	5		DABDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000594878732	372995198	/nfs/dbraw/zinc/99/51/98/372995198.db2.gz	IHPSQDUHFBPMGG-ONGXEEELSA-N	1	0	322.325	-1.048	20	5		DABDRO
[NH3+][C@@H]1C[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000594878731	372996169	/nfs/dbraw/zinc/99/61/69/372996169.db2.gz	IHPSQDUHFBPMGG-MWLCHTKSSA-N	1	0	322.325	-1.048	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1	ZINC000594027987	372988386	/nfs/dbraw/zinc/98/83/86/372988386.db2.gz	YGBGLHFNQBIWHX-CYZMBNFOSA-N	1	0	311.342	-1.097	20	5		DABDRO
CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000405386950	373636669	/nfs/dbraw/zinc/63/66/69/373636669.db2.gz	NFZQMQCQNMMVEY-SNVBAGLBSA-N	1	0	321.359	-1.367	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c1	ZINC000347330478	263286445	/nfs/dbraw/zinc/28/64/45/263286445.db2.gz	JDVQSYVUYRYBTP-UMNHJUIQSA-N	1	0	300.315	-1.030	20	5		DABDRO
C[NH+](C)CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000349707116	263319168	/nfs/dbraw/zinc/31/91/68/263319168.db2.gz	NTXOKROARRJVIL-UHFFFAOYSA-N	1	0	311.346	-1.108	20	5		DABDRO
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1	ZINC000518529397	263320786	/nfs/dbraw/zinc/32/07/86/263320786.db2.gz	HYRDBNRDBWRQMP-JTQLQIEISA-N	1	0	310.314	-1.224	20	5		DABDRO
COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000352044689	263326629	/nfs/dbraw/zinc/32/66/29/263326629.db2.gz	JYTSDYHUUQFUDL-MXWKQRLJSA-N	1	0	314.298	-1.240	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1	ZINC000347330473	545763864	/nfs/dbraw/zinc/76/38/64/545763864.db2.gz	JDVQSYVUYRYBTP-FOGDFJRCSA-N	1	0	300.315	-1.030	20	5		DABDRO
O=C(N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001020140062	662537960	/nfs/dbraw/zinc/53/79/60/662537960.db2.gz	WLKCPACSUTZMHC-GWOFURMSSA-N	1	0	311.342	-1.086	20	5		DABDRO
CCNS(=O)(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000819042865	663855929	/nfs/dbraw/zinc/85/59/29/663855929.db2.gz	NALVUMRHSONUAJ-SNVBAGLBSA-N	1	0	321.359	-1.319	20	5		DABDRO
CCNS(=O)(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000819042864	663856070	/nfs/dbraw/zinc/85/60/70/663856070.db2.gz	NALVUMRHSONUAJ-JTQLQIEISA-N	1	0	321.359	-1.319	20	5		DABDRO
C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001042976729	678359078	/nfs/dbraw/zinc/35/90/78/678359078.db2.gz	QYWORVONVANVFC-NXEZZACHSA-N	1	0	314.342	-1.707	20	5		DABDRO
CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001276002457	782327461	/nfs/dbraw/zinc/32/74/61/782327461.db2.gz	RMTAUNGJOIXTOJ-RKDXNWHRSA-N	1	0	315.330	-1.455	20	5		DABDRO
Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1	ZINC001272162707	775642659	/nfs/dbraw/zinc/64/26/59/775642659.db2.gz	RHEUVQVYQAHVET-VXGBXAGGSA-N	1	0	311.342	-1.004	20	5		DABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCOCC1	ZINC001126936471	775666895	/nfs/dbraw/zinc/66/68/95/775666895.db2.gz	JPRLLIALWHORKC-NXEZZACHSA-N	1	0	300.315	-1.784	20	5		DABDRO
CN(c1ccc([N+](=O)[O-])c(C(N)=O)n1)S(=O)(=O)CC[NH3+]	ZINC001164287318	776116981	/nfs/dbraw/zinc/11/69/81/776116981.db2.gz	FZBZZYARFSHEBC-UHFFFAOYSA-N	1	0	303.300	-1.187	20	5		DABDRO
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1	ZINC001168983755	776284158	/nfs/dbraw/zinc/28/41/58/776284158.db2.gz	LDYDNAMRXVHIRG-LTDQNYPCSA-N	1	0	306.315	-2.179	20	5		DABDRO
COC(=O)CNC(=O)CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001170950709	776787092	/nfs/dbraw/zinc/78/70/92/776787092.db2.gz	JBOGRBHIEYIOGP-UHFFFAOYSA-N	1	0	324.297	-1.227	20	5		DABDRO
CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775834	779758923	/nfs/dbraw/zinc/75/89/23/779758923.db2.gz	ZMCWHCMYIQJVCU-RKDXNWHRSA-N	1	0	308.360	-1.703	20	5		DABDRO
CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157767037	779758938	/nfs/dbraw/zinc/75/89/38/779758938.db2.gz	DTOSIZILIVNHRD-HTQZYQBOSA-N	1	0	301.303	-1.797	20	5		DABDRO
COC(=O)CNC(=O)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001159829329	779797509	/nfs/dbraw/zinc/79/75/09/779797509.db2.gz	MJHWQXSWFDZDFB-UHFFFAOYSA-N	1	0	324.297	-1.227	20	5		DABDRO
[NH3+]CCN(CCO)c1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001163829871	779871072	/nfs/dbraw/zinc/87/10/72/779871072.db2.gz	GPBNHAXWLKUXIE-UHFFFAOYSA-N	1	0	312.330	-1.021	20	5		DABDRO
NC(=O)CN1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001165153418	779880411	/nfs/dbraw/zinc/88/04/11/779880411.db2.gz	HFJHREHKXSCVSH-UHFFFAOYSA-N	1	0	321.341	-1.321	20	5		DABDRO
Cn1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(=O)n(C)c1=O	ZINC001234189475	780404549	/nfs/dbraw/zinc/40/45/49/780404549.db2.gz	PWWAJDUUYDOAKA-SECBINFHSA-N	1	0	300.335	-1.553	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1	ZINC001256176296	780508237	/nfs/dbraw/zinc/50/82/37/780508237.db2.gz	UIXLNQWQEBTKLZ-JLLWLGSASA-N	1	0	300.315	-1.173	20	5		DABDRO
CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001317584363	916328501	/nfs/dbraw/zinc/32/85/01/916328501.db2.gz	AHBOCEWKEPEULY-RKDXNWHRSA-N	1	0	313.314	-1.749	20	5		DABDRO
O=C(NCC1([NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001323440660	916725194	/nfs/dbraw/zinc/72/51/94/916725194.db2.gz	BYTRAOBYCHRJLY-NXEZZACHSA-N	1	0	311.342	-1.085	20	5		DABDRO
CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001326024046	916884791	/nfs/dbraw/zinc/88/47/91/916884791.db2.gz	RPHPPHADMHJXOG-NXEZZACHSA-N	1	0	302.331	-1.850	20	5		DABDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CCN2C1=O	ZINC000574823700	372872123	/nfs/dbraw/zinc/87/21/23/372872123.db2.gz	MTQNGACWJOTYRR-BDAKNGLRSA-N	1	0	308.298	-1.438	20	5		DABDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000580096599	372916143	/nfs/dbraw/zinc/91/61/43/372916143.db2.gz	KHQBDBXSFFBWIU-SCZZXKLOSA-N	1	0	308.298	-1.438	20	5		DABDRO
COCC[NH2+]CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599109607	373036992	/nfs/dbraw/zinc/03/69/92/373036992.db2.gz	VILBJMDUCJYIKD-UHFFFAOYSA-N	1	0	307.332	-1.157	20	5		DABDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCOC2(C[NH2+]C2)C1	ZINC000596580794	373013341	/nfs/dbraw/zinc/01/33/41/373013341.db2.gz	SFGGATXLLZOFHW-UHFFFAOYSA-N	1	0	308.294	-1.043	20	5		DABDRO
CN1CC[NH2+]C[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000569229120	373075200	/nfs/dbraw/zinc/07/52/00/373075200.db2.gz	MTXUPRJZZKZUPX-NSHDSACASA-N	1	0	309.326	-1.224	20	5		DABDRO
COCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(N)=O	ZINC000441304132	409512035	/nfs/dbraw/zinc/51/20/35/409512035.db2.gz	QSXJHGDJNGTIMR-GXSJLCMTSA-N	1	0	315.330	-1.026	20	5		DABDRO
O=C(NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccn[nH]1	ZINC000515347497	262656418	/nfs/dbraw/zinc/65/64/18/262656418.db2.gz	CDMZJWWLXODTHU-SNVBAGLBSA-N	1	0	323.313	-1.105	20	5		DABDRO
O=C(NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccn[nH]1	ZINC000515347496	262656697	/nfs/dbraw/zinc/65/66/97/262656697.db2.gz	CDMZJWWLXODTHU-JTQLQIEISA-N	1	0	323.313	-1.105	20	5		DABDRO
C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000358073506	263252780	/nfs/dbraw/zinc/25/27/80/263252780.db2.gz	PXGLCRIGPIEOTD-ZDUSSCGKSA-N	1	0	310.310	-1.061	20	5		DABDRO
[NH3+][C@H]1C[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CCN2C1=O	ZINC000574823717	332434953	/nfs/dbraw/zinc/43/49/53/332434953.db2.gz	MTQNGACWJOTYRR-IUCAKERBSA-N	1	0	308.298	-1.438	20	5		DABDRO
C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001196285471	782099426	/nfs/dbraw/zinc/09/94/26/782099426.db2.gz	MUSPDQBNALTITL-QJPTWQEYSA-N	1	0	300.315	-1.030	20	5		DABDRO
CCS(=O)(=O)NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000390289983	336936034	/nfs/dbraw/zinc/93/60/34/336936034.db2.gz	WNUSOFJAFQUNRQ-SNVBAGLBSA-N	1	0	321.359	-1.319	20	5		DABDRO
CCS(=O)(=O)NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000390289982	336936084	/nfs/dbraw/zinc/93/60/84/336936084.db2.gz	WNUSOFJAFQUNRQ-JTQLQIEISA-N	1	0	321.359	-1.319	20	5		DABDRO
O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001022064104	662385878	/nfs/dbraw/zinc/38/58/78/662385878.db2.gz	WLKCPACSUTZMHC-LMLFDSFASA-N	1	0	311.342	-1.086	20	5		DABDRO
O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCC1	ZINC001025775356	662531205	/nfs/dbraw/zinc/53/12/05/662531205.db2.gz	RTKGPVNGOQBZRC-HMUNZLOLSA-N	1	0	308.338	-1.070	20	5		DABDRO
O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025777117	662531316	/nfs/dbraw/zinc/53/13/16/662531316.db2.gz	IPQNHXPPLBBYSH-ZIQFBCGOSA-N	1	0	306.326	-1.010	20	5		DABDRO
NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1	ZINC001167077308	775124704	/nfs/dbraw/zinc/12/47/04/775124704.db2.gz	HQJVXRYWQMBMEB-VIFPVBQESA-N	1	0	308.298	-1.238	20	5		DABDRO
CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001266683224	775169445	/nfs/dbraw/zinc/16/94/45/775169445.db2.gz	KOTXACGCFKKIIB-UTINFBMNSA-N	1	0	320.371	-1.562	20	5		DABDRO
C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1C(=O)CNC1=O	ZINC001267193824	775210681	/nfs/dbraw/zinc/21/06/81/775210681.db2.gz	DOAJTBRHBGRATC-RKDXNWHRSA-N	1	0	313.314	-1.749	20	5		DABDRO
[NH3+]CCc1nnn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1	ZINC001167790288	775336208	/nfs/dbraw/zinc/33/62/08/775336208.db2.gz	GPJJEVCJLWIPLZ-UHFFFAOYSA-N	1	0	321.301	-1.302	20	5		DABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCOCC1	ZINC001126932301	775665086	/nfs/dbraw/zinc/66/50/86/775665086.db2.gz	REABBHXCDZEAIX-GHMZBOCLSA-N	1	0	314.342	-1.347	20	5		DABDRO
CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936862	775666039	/nfs/dbraw/zinc/66/60/39/775666039.db2.gz	VFAYKPGVVWOKRL-GHMZBOCLSA-N	1	0	302.331	-1.490	20	5		DABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cnccn1	ZINC001126936985	775666059	/nfs/dbraw/zinc/66/60/59/775666059.db2.gz	ZXDZFOKMOLTYRI-RKDXNWHRSA-N	1	0	308.298	-1.214	20	5		DABDRO
O=[N+]([O-])c1c(N2C[C@@H](O)[C@H](CO)C2)ncnc1N1CC[NH2+]CC1	ZINC001164534003	776122041	/nfs/dbraw/zinc/12/20/41/776122041.db2.gz	XSOAWWZRGUDGET-VHSXEESVSA-N	1	0	324.341	-1.416	20	5		DABDRO
[NH3+]Cc1nnnn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC001168920329	776281886	/nfs/dbraw/zinc/28/18/86/776281886.db2.gz	DLKMSBPLZVWJLC-UHFFFAOYSA-N	1	0	307.274	-1.344	20	5		DABDRO
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1	ZINC001168983752	776283897	/nfs/dbraw/zinc/28/38/97/776283897.db2.gz	LDYDNAMRXVHIRG-DNOVGRLMSA-N	1	0	306.315	-2.179	20	5		DABDRO
O=[N+]([O-])c1c(NC2(CO)COC2)ncnc1N1CC[NH2+]CC1	ZINC001157392428	776386746	/nfs/dbraw/zinc/38/67/46/776386746.db2.gz	JBMKCPZLHNYVJC-UHFFFAOYSA-N	1	0	310.314	-1.032	20	5		DABDRO
CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157760703	779758730	/nfs/dbraw/zinc/75/87/30/779758730.db2.gz	HQBSUTUHPXJPPO-GHMZBOCLSA-N	1	0	316.358	-1.100	20	5		DABDRO
CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775280	779758834	/nfs/dbraw/zinc/75/88/34/779758834.db2.gz	NKHJGPYBIRIGLN-NXEZZACHSA-N	1	0	322.387	-1.313	20	5		DABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cn1ncnn1	ZINC001158162892	779769817	/nfs/dbraw/zinc/76/98/17/779769817.db2.gz	FCRBTISWOHATLS-UHFFFAOYSA-N	1	0	323.317	-1.389	20	5		DABDRO
CS(=O)(=O)N(CC[NH3+])c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC001162125216	779851162	/nfs/dbraw/zinc/85/11/62/779851162.db2.gz	WGDGCQNUJFRAFC-UHFFFAOYSA-N	1	0	303.300	-1.187	20	5		DABDRO
N[C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H]2NCN[C@@H]21	ZINC001162445423	779858892	/nfs/dbraw/zinc/85/88/92/779858892.db2.gz	UGRMVEVTDKOPGQ-MXWKQRLJSA-N	1	0	321.345	-2.432	20	5		DABDRO
Cn1nnc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1	ZINC001164148588	779875680	/nfs/dbraw/zinc/87/56/80/779875680.db2.gz	SYMNNWVOWJHVPJ-UHFFFAOYSA-N	1	0	323.317	-1.239	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1	ZINC001256176308	780507349	/nfs/dbraw/zinc/50/73/49/780507349.db2.gz	UIXLNQWQEBTKLZ-YUSALJHKSA-N	1	0	300.315	-1.173	20	5		DABDRO
CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001280813593	780645805	/nfs/dbraw/zinc/64/58/05/780645805.db2.gz	DZGLNHANOJXWJS-RKDXNWHRSA-N	1	0	315.330	-1.373	20	5		DABDRO
C[N@H+](CCNS(C)(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001318912605	916413234	/nfs/dbraw/zinc/41/32/34/916413234.db2.gz	KLDFIOSXFQCJHM-SNVBAGLBSA-N	1	0	321.359	-1.367	20	5		DABDRO
C[N@H+](CCNS(C)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001318912604	916413873	/nfs/dbraw/zinc/41/38/73/916413873.db2.gz	KLDFIOSXFQCJHM-JTQLQIEISA-N	1	0	321.359	-1.367	20	5		DABDRO
CNS(=O)(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325876513	916870018	/nfs/dbraw/zinc/87/00/18/916870018.db2.gz	BBGZUPOCTNDKQR-VIFPVBQESA-N	1	0	307.332	-1.709	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN([C@H]2CC[NH2+]C2)CC1	ZINC001328524709	917093983	/nfs/dbraw/zinc/09/39/83/917093983.db2.gz	LEZYHKRXIGZWIQ-JTQLQIEISA-N	1	0	309.330	-1.308	20	5		DABDRO
CN(CCOCC[NH3+])S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001351352446	918089121	/nfs/dbraw/zinc/08/91/21/918089121.db2.gz	OCBBECLWWJANEC-UHFFFAOYSA-N	1	0	307.332	-1.076	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001449090325	929537886	/nfs/dbraw/zinc/53/78/86/929537886.db2.gz	SBGWYSWRNXKIHP-ZJUUUORDSA-N	1	0	310.314	-1.146	20	5		DABDRO
CN1C(=O)[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O	ZINC001560076274	930090702	/nfs/dbraw/zinc/09/07/02/930090702.db2.gz	ZXHFNHZPJLTRIQ-MXWKQRLJSA-N	1	0	323.309	-1.301	20	5		DABDRO
O=C(CCn1cc([N+](=O)[O-])cn1)NCC(=O)N1CC[NH2+]CC1	ZINC000564835565	372812721	/nfs/dbraw/zinc/81/27/21/372812721.db2.gz	BQJOKSKTCQQUJR-UHFFFAOYSA-N	1	0	310.314	-1.271	20	5		DABDRO
[NH3+][C@@H]1C[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000580096600	372924100	/nfs/dbraw/zinc/92/41/00/372924100.db2.gz	KHQBDBXSFFBWIU-WCBMZHEXSA-N	1	0	308.298	-1.438	20	5		DABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)n1	ZINC000599264884	373039831	/nfs/dbraw/zinc/03/98/31/373039831.db2.gz	FOYDAAFLZPNPCA-JTQLQIEISA-N	1	0	321.359	-1.081	20	5		DABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])n1	ZINC000599101842	373035357	/nfs/dbraw/zinc/03/53/57/373035357.db2.gz	NKMFJYYZEPKPFB-MRVPVSSYSA-N	1	0	318.359	-1.408	20	5		DABDRO
CN1C(=O)CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000315972855	373082188	/nfs/dbraw/zinc/08/21/88/373082188.db2.gz	YLHXPZINTAUWBR-UWVGGRQHSA-N	1	0	311.298	-1.111	20	5		DABDRO
[NH3+]CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262439735	373114327	/nfs/dbraw/zinc/11/43/27/373114327.db2.gz	NBBVMSHZVLHILJ-UHFFFAOYSA-N	1	0	302.312	-1.052	20	5		DABDRO
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1CC[NH2+]CC1	ZINC000428647461	545824256	/nfs/dbraw/zinc/82/42/56/545824256.db2.gz	ATZLAIMUDSYTIK-UHFFFAOYSA-N	1	0	309.326	-1.222	20	5		DABDRO
O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH2+]CC1	ZINC000563106044	333391281	/nfs/dbraw/zinc/39/12/81/333391281.db2.gz	DCPCUBOIBCGDLO-UHFFFAOYSA-N	1	0	309.282	-1.143	20	5		DABDRO
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C	ZINC000582203806	335783905	/nfs/dbraw/zinc/78/39/05/335783905.db2.gz	UJJFYTHVYJLLRZ-VIFPVBQESA-N	1	0	312.330	-1.026	20	5		DABDRO
CN1CC[NH2+]C[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000569229109	341694776	/nfs/dbraw/zinc/69/47/76/341694776.db2.gz	MTXUPRJZZKZUPX-LLVKDONJSA-N	1	0	309.326	-1.224	20	5		DABDRO
O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775602	662531348	/nfs/dbraw/zinc/53/13/48/662531348.db2.gz	HMLFLDNKCCNRLZ-ZIQFBCGOSA-N	1	0	323.353	-1.277	20	5		DABDRO
CS(=O)(=O)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001266591552	775158531	/nfs/dbraw/zinc/15/85/31/775158531.db2.gz	PABZLXHLGMNBHS-ZYUZMQFOSA-N	1	0	305.356	-1.067	20	5		DABDRO
CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001267371300	775231956	/nfs/dbraw/zinc/23/19/56/775231956.db2.gz	JNIYKYKDIWGLON-HTQZYQBOSA-N	1	0	301.303	-1.845	20	5		DABDRO
CNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1	ZINC001271038924	775524968	/nfs/dbraw/zinc/52/49/68/775524968.db2.gz	VEBYILMXAPJTCO-NXEZZACHSA-N	1	0	314.342	-1.347	20	5		DABDRO
COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936200	775665160	/nfs/dbraw/zinc/66/51/60/775665160.db2.gz	ABSMWQILCBBOLD-NXEZZACHSA-N	1	0	302.331	-1.490	20	5		DABDRO
O=C(NCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936417	775665247	/nfs/dbraw/zinc/66/52/47/775665247.db2.gz	GQXQKHIEKQEONO-NXEZZACHSA-N	1	0	320.371	-1.607	20	5		DABDRO
O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1nncs1	ZINC001126936455	775665326	/nfs/dbraw/zinc/66/53/26/775665326.db2.gz	IXJMSNVLZGOBGI-RNFRBKRXSA-N	1	0	314.327	-1.152	20	5		DABDRO
CN(CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])S(C)(=O)=O	ZINC001126936760	775667035	/nfs/dbraw/zinc/66/70/35/775667035.db2.gz	RCJXJLSDVIIIKY-RKDXNWHRSA-N	1	0	308.360	-1.751	20	5		DABDRO
CN(c1nccc(C(N)=O)c1[N+](=O)[O-])S(=O)(=O)CC[NH3+]	ZINC001164292639	776116711	/nfs/dbraw/zinc/11/67/11/776116711.db2.gz	VQXVAZIOZBHRGP-UHFFFAOYSA-N	1	0	303.300	-1.187	20	5		DABDRO
CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+](C)CC1	ZINC001304071567	778100024	/nfs/dbraw/zinc/10/00/24/778100024.db2.gz	BNYCATLSWWDTSA-UHFFFAOYSA-N	1	0	311.346	-1.108	20	5		DABDRO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cn1cnnn1	ZINC001154503039	779722709	/nfs/dbraw/zinc/72/27/09/779722709.db2.gz	NTLHTAOKLLHGCT-UHFFFAOYSA-N	1	0	323.317	-1.389	20	5		DABDRO
O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001157775010	779758473	/nfs/dbraw/zinc/75/84/73/779758473.db2.gz	HNRLTAOKIMNRNV-RKDXNWHRSA-N	1	0	313.314	-1.701	20	5		DABDRO
[NH3+]Cc1nc(=O)[n-]n1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001157933046	779761451	/nfs/dbraw/zinc/76/14/51/779761451.db2.gz	FZWARQUXLKKNPC-UHFFFAOYSA-N	1	0	321.301	-1.461	20	5		DABDRO
CS(=O)(=O)N(CC[NH3+])c1nccc(C(N)=O)c1[N+](=O)[O-]	ZINC001162127123	779851144	/nfs/dbraw/zinc/85/11/44/779851144.db2.gz	RCWCWDCUPXNHDR-UHFFFAOYSA-N	1	0	303.300	-1.187	20	5		DABDRO
N[C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H]2NCN[C@H]21	ZINC001162445422	779858403	/nfs/dbraw/zinc/85/84/03/779858403.db2.gz	UGRMVEVTDKOPGQ-HBNTYKKESA-N	1	0	321.345	-2.432	20	5		DABDRO
CN1CCN(C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C)CC1	ZINC001222537201	780310904	/nfs/dbraw/zinc/31/09/04/780310904.db2.gz	SKBAYYGKPHKMGG-GFCCVEGCSA-N	1	0	302.395	-1.239	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1	ZINC001256176307	780507253	/nfs/dbraw/zinc/50/72/53/780507253.db2.gz	UIXLNQWQEBTKLZ-WCQGTBRESA-N	1	0	300.315	-1.173	20	5		DABDRO
CN(CC[NH+](C)C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC001261165161	780538141	/nfs/dbraw/zinc/53/81/41/780538141.db2.gz	LVJUWUZKOFKEQI-UHFFFAOYSA-N	1	0	312.330	-1.073	20	5		DABDRO
O=C(NC1(CO)CC[NH+](CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001281810909	780692660	/nfs/dbraw/zinc/69/26/60/780692660.db2.gz	YMABXYDKVQIFKB-GHMZBOCLSA-N	1	0	301.343	-1.023	20	5		DABDRO
C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1	ZINC001138062000	916142927	/nfs/dbraw/zinc/14/29/27/916142927.db2.gz	WPYHYAXJXNVVSX-CYBMUJFWSA-N	1	0	310.310	-1.061	20	5		DABDRO
CC[NH+]1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC001318499214	916400114	/nfs/dbraw/zinc/40/01/14/916400114.db2.gz	JHOQFVQMMNIXJN-UHFFFAOYSA-N	1	0	311.346	-1.060	20	5		DABDRO
CNS(=O)(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001325876485	916868562	/nfs/dbraw/zinc/86/85/62/916868562.db2.gz	BBGZUPOCTNDKQR-SECBINFHSA-N	1	0	307.332	-1.709	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC001326338776	916914249	/nfs/dbraw/zinc/91/42/49/916914249.db2.gz	BASIIOXBACUIQD-SNVBAGLBSA-N	1	0	309.330	-1.308	20	5		DABDRO
COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001327122431	916993102	/nfs/dbraw/zinc/99/31/02/916993102.db2.gz	ZAQCBHXMLOXGGR-QMMMGPOBSA-N	1	0	312.286	-1.450	20	5		DABDRO
O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NCC12CC(C1)C[NH2+]2	ZINC001327510646	917020448	/nfs/dbraw/zinc/02/04/48/917020448.db2.gz	VTJSNKFMICNVJY-UHFFFAOYSA-N	1	0	322.325	-1.224	20	5		DABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)n1	ZINC001328719174	917106001	/nfs/dbraw/zinc/10/60/01/917106001.db2.gz	RRJBWZDCYSTRSF-SSDOTTSWSA-N	1	0	305.316	-1.324	20	5		DABDRO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1	ZINC001449090319	929537350	/nfs/dbraw/zinc/53/73/50/929537350.db2.gz	SBGWYSWRNXKIHP-UWVGGRQHSA-N	1	0	310.314	-1.146	20	5		DABDRO
CN1C(=O)[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1=O	ZINC001560076273	930091248	/nfs/dbraw/zinc/09/12/48/930091248.db2.gz	ZXHFNHZPJLTRIQ-GARJFASQSA-N	1	0	323.309	-1.301	20	5		DABDRO
[NH3+][C@H]1C[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CCN2C1=O	ZINC000594878730	372995551	/nfs/dbraw/zinc/99/55/51/372995551.db2.gz	IHPSQDUHFBPMGG-KOLCDFICSA-N	1	0	322.325	-1.048	20	5		DABDRO
O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1(O)C[NH2+]C1	ZINC000595928385	373003342	/nfs/dbraw/zinc/00/33/42/373003342.db2.gz	RTIOFSTXDINHGL-UHFFFAOYSA-N	1	0	307.310	-1.027	20	5		DABDRO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)n1	ZINC000599264892	373040265	/nfs/dbraw/zinc/04/02/65/373040265.db2.gz	FOYDAAFLZPNPCA-SNVBAGLBSA-N	1	0	321.359	-1.081	20	5		DABDRO
CN1C(=O)CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000315972857	373081453	/nfs/dbraw/zinc/08/14/53/373081453.db2.gz	YLHXPZINTAUWBR-ZJUUUORDSA-N	1	0	311.298	-1.111	20	5		DABDRO
CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O	ZINC000315972854	373083205	/nfs/dbraw/zinc/08/32/05/373083205.db2.gz	YLHXPZINTAUWBR-NXEZZACHSA-N	1	0	311.298	-1.111	20	5		DABDRO
O=C1CN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000574632143	373251987	/nfs/dbraw/zinc/25/19/87/373251987.db2.gz	XQJQJKUFCHYZRY-LLVKDONJSA-N	1	0	312.330	-1.826	20	5		DABDRO
COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)C(N)=O	ZINC000441304136	409512257	/nfs/dbraw/zinc/51/22/57/409512257.db2.gz	QSXJHGDJNGTIMR-KOLCDFICSA-N	1	0	315.330	-1.026	20	5		DABDRO
COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)C(N)=O	ZINC000441304140	263292453	/nfs/dbraw/zinc/29/24/53/263292453.db2.gz	QSXJHGDJNGTIMR-ONGXEEELSA-N	1	0	315.330	-1.026	20	5		DABDRO
O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001031662518	663305352	/nfs/dbraw/zinc/30/53/52/663305352.db2.gz	FYJTYKPPNOUCKK-GHMZBOCLSA-N	1	0	311.342	-1.275	20	5		DABDRO
CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001266696838	775171315	/nfs/dbraw/zinc/17/13/15/775171315.db2.gz	UGWDENFPCPCFGU-NXEZZACHSA-N	1	0	312.326	-1.151	20	5		DABDRO
CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126932316	775664676	/nfs/dbraw/zinc/66/46/76/775664676.db2.gz	RYVNBUXUSQTJAY-NXEZZACHSA-N	1	0	302.331	-1.490	20	5		DABDRO
CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936680	775666925	/nfs/dbraw/zinc/66/69/25/775666925.db2.gz	QJHHAUWBFMMSRS-NXEZZACHSA-N	1	0	322.387	-1.313	20	5		DABDRO
O=[N+]([O-])c1c(N2C[C@H](O)[C@@H](CO)C2)ncnc1N1CC[NH2+]CC1	ZINC001164534005	776121793	/nfs/dbraw/zinc/12/17/93/776121793.db2.gz	XSOAWWZRGUDGET-ZJUUUORDSA-N	1	0	324.341	-1.416	20	5		DABDRO
CS(=O)(=O)N(CC[NH3+])c1ccc([N+](=O)[O-])c(C(N)=O)n1	ZINC001162124268	779850546	/nfs/dbraw/zinc/85/05/46/779850546.db2.gz	JMLKGODPSVTYHX-UHFFFAOYSA-N	1	0	303.300	-1.187	20	5		DABDRO
N[C@@H]1NCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@H]2NCN[C@@H]21	ZINC001162445421	779858477	/nfs/dbraw/zinc/85/84/77/779858477.db2.gz	UGRMVEVTDKOPGQ-GMTAPVOTSA-N	1	0	321.345	-2.432	20	5		DABDRO
CN(c1ncc([N+](=O)[O-])cc1C(N)=O)S(=O)(=O)CC[NH3+]	ZINC001164287356	779878061	/nfs/dbraw/zinc/87/80/61/779878061.db2.gz	HSZRLIXVTJHTIR-UHFFFAOYSA-N	1	0	303.300	-1.187	20	5		DABDRO
CN(C[C@H](O)CO)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001165529154	779886220	/nfs/dbraw/zinc/88/62/20/779886220.db2.gz	NKMIAGHCLGMQOQ-VIFPVBQESA-N	1	0	312.330	-1.416	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1	ZINC001171229182	781387032	/nfs/dbraw/zinc/38/70/32/781387032.db2.gz	IYHXJEFUUPHEMZ-MVWJERBFSA-N	1	0	300.315	-1.173	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1	ZINC001171229184	781387184	/nfs/dbraw/zinc/38/71/84/781387184.db2.gz	IYHXJEFUUPHEMZ-YUSALJHKSA-N	1	0	300.315	-1.173	20	5		DABDRO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1	ZINC001171229181	781387827	/nfs/dbraw/zinc/38/78/27/781387827.db2.gz	IYHXJEFUUPHEMZ-JLLWLGSASA-N	1	0	300.315	-1.173	20	5		DABDRO