smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000013540524	558842368	/nfs/dbraw/zinc/84/23/68/558842368.db2.gz	WMOIDSVFHDUYQF-RQXXJAGISA-N	1	1	418.409	2.026	50	5		HEBAMO
O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000025265104	568760976	/nfs/dbraw/zinc/76/09/76/568760976.db2.gz	JVOMTEBYJWXFQC-UHFFFAOYSA-N	1	1	416.865	2.322	50	5		HEBAMO
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000023181887	559031710	/nfs/dbraw/zinc/03/17/10/559031710.db2.gz	LKACAHQFTOBJDC-KDOFPFPSSA-N	1	1	424.548	2.312	50	5		HEBAMO
C[C@@H]1CN(C(=O)C2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1	ZINC000048274204	568434194	/nfs/dbraw/zinc/43/41/94/568434194.db2.gz	ASDAZMZQXLDOPD-GASCZTMLSA-N	1	1	401.467	2.250	50	5		HEBAMO
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+]([C@@H]2CCSC2)CC1	ZINC000079046322	569425193	/nfs/dbraw/zinc/42/51/93/569425193.db2.gz	IHTQLVVCLONFBE-QGZVFWFLSA-N	1	1	404.536	2.461	50	5		HEBAMO
O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000002798650	568809711	/nfs/dbraw/zinc/80/97/11/568809711.db2.gz	ZRBWGSFWOMJACR-AWEZNQCLSA-N	1	1	405.842	2.401	50	5		HEBAMO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000229655681	568952856	/nfs/dbraw/zinc/95/28/56/568952856.db2.gz	PTAAMSSDVVNNBX-KCXPTXFHSA-N	1	1	418.409	2.026	50	5		HEBAMO
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+]([C@H]2CCSC2)CC1	ZINC000079046326	569425168	/nfs/dbraw/zinc/42/51/68/569425168.db2.gz	IHTQLVVCLONFBE-KRWDZBQOSA-N	1	1	404.536	2.461	50	5		HEBAMO
C[C@@H]1C[N@H+](CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000012557643	132363808	/nfs/dbraw/zinc/36/38/08/132363808.db2.gz	YFLGQDIYZMCZSF-CALCHBBNSA-N	1	1	404.511	2.427	50	5		HEBAMO
Cc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032483316	525143359	/nfs/dbraw/zinc/14/33/59/525143359.db2.gz	SVARKFAOVDJHSH-UHFFFAOYSA-N	1	1	410.474	2.368	50	5		HEBAMO
O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000102783824	560827441	/nfs/dbraw/zinc/82/74/41/560827441.db2.gz	NOKMAPIEJXEQGM-CALCHBBNSA-N	1	1	416.478	2.409	50	5		HEBAMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000034685945	568733596	/nfs/dbraw/zinc/73/35/96/568733596.db2.gz	KWYUKEIVYYDWTP-OAQYLSRUSA-N	1	1	410.474	2.258	50	5		HEBAMO
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000023181891	559031725	/nfs/dbraw/zinc/03/17/25/559031725.db2.gz	LKACAHQFTOBJDC-KSSFIOAISA-N	1	1	424.548	2.312	50	5		HEBAMO
O=C(c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21	ZINC000020638688	568638593	/nfs/dbraw/zinc/63/85/93/568638593.db2.gz	UFQTUFAPZHGCTB-UHFFFAOYSA-N	1	1	410.474	2.302	50	5		HEBAMO
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000023181879	559031678	/nfs/dbraw/zinc/03/16/78/559031678.db2.gz	LKACAHQFTOBJDC-RDTXWAMCSA-N	1	1	424.548	2.312	50	5		HEBAMO
C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2[N+](=O)[O-])CC1	ZINC000023073518	132477179	/nfs/dbraw/zinc/47/71/79/132477179.db2.gz	GWZCLTMJWIGKLW-UHFFFAOYSA-N	1	1	407.434	2.180	50	5		HEBAMO
O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000102783826	560827448	/nfs/dbraw/zinc/82/74/48/560827448.db2.gz	NOKMAPIEJXEQGM-IRXDYDNUSA-N	1	1	416.478	2.409	50	5		HEBAMO
Nc1nc(NCCC[NH+]2CCOCC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000020228309	568595174	/nfs/dbraw/zinc/59/51/74/568595174.db2.gz	BWHBKWPGEAYJNU-UHFFFAOYSA-N	1	1	407.862	2.498	50	5		HEBAMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000229655693	568952944	/nfs/dbraw/zinc/95/29/44/568952944.db2.gz	PTAAMSSDVVNNBX-FBAVSBLXSA-N	1	1	418.409	2.026	50	5		HEBAMO
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000023181883	559031671	/nfs/dbraw/zinc/03/16/71/559031671.db2.gz	LKACAHQFTOBJDC-KBXCAEBGSA-N	1	1	424.548	2.312	50	5		HEBAMO
C[C@H]1CN(C(=O)C2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1	ZINC000048274206	568434142	/nfs/dbraw/zinc/43/41/42/568434142.db2.gz	ASDAZMZQXLDOPD-GJZGRUSLSA-N	1	1	401.467	2.250	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000089518854	569062668	/nfs/dbraw/zinc/06/26/68/569062668.db2.gz	PHCUCRZMSHHYEJ-PMUMKWKESA-N	1	1	416.478	2.406	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000089518854	569062669	/nfs/dbraw/zinc/06/26/69/569062669.db2.gz	PHCUCRZMSHHYEJ-PMUMKWKESA-N	1	1	416.478	2.406	50	5		HEBAMO
C[C@@H]1CN(C(=O)C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@@H](C)O1	ZINC000045801707	524760329	/nfs/dbraw/zinc/76/03/29/524760329.db2.gz	XDHVQWQPXFRAMT-HUUCEWRRSA-N	1	1	401.467	2.250	50	5		HEBAMO
O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000020413957	568604856	/nfs/dbraw/zinc/60/48/56/568604856.db2.gz	ZBZRFDRFKFJXGB-UHFFFAOYSA-N	1	1	412.446	2.299	50	5		HEBAMO
O=C(C[N@@H+](CCN1CCOCC1)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000095446687	568612067	/nfs/dbraw/zinc/61/20/67/568612067.db2.gz	WJEYAJYVTTWLDA-UHFFFAOYSA-N	1	1	402.495	2.061	50	5		HEBAMO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000229655671	568952904	/nfs/dbraw/zinc/95/29/04/568952904.db2.gz	PTAAMSSDVVNNBX-SUWCGCSTSA-N	1	1	418.409	2.026	50	5		HEBAMO
C[C@@H]1CN(C(=O)C2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@@H](C)O1	ZINC000048274209	568434213	/nfs/dbraw/zinc/43/42/13/568434213.db2.gz	ASDAZMZQXLDOPD-HUUCEWRRSA-N	1	1	401.467	2.250	50	5		HEBAMO
O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000026170456	569027819	/nfs/dbraw/zinc/02/78/19/569027819.db2.gz	BFYIZHQIWZNBBV-KRWDZBQOSA-N	1	1	415.450	2.152	50	5		HEBAMO
CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000055226450	569395068	/nfs/dbraw/zinc/39/50/68/569395068.db2.gz	BVCQXFMQEMJISI-SFHVURJKSA-N	1	1	402.451	2.498	50	5		HEBAMO
Cc1c(OCC(=O)NCCC[NH+]2CCOCC2)ccc2c3ccccc3c(=O)oc12	ZINC000020547852	525881194	/nfs/dbraw/zinc/88/11/94/525881194.db2.gz	MGVOEWGTEBITHO-UHFFFAOYSA-N	1	1	410.470	2.472	50	5		HEBAMO
Cc1sc2nc3c4ccccc4c(N4CC[NH+](CCO)CC4)nn3c(=O)c2c1C	ZINC000019902839	558305645	/nfs/dbraw/zinc/30/56/45/558305645.db2.gz	VFOGIKXMEPNCOQ-UHFFFAOYSA-N	1	1	409.515	2.189	50	5		HEBAMO
CC(C)C[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1	ZINC000026304347	569031151	/nfs/dbraw/zinc/03/11/51/569031151.db2.gz	SMNODYMVXSISTC-HXUWFJFHSA-N	1	1	419.526	2.173	50	5		HEBAMO
O=c1c2cc3c(ccn(-c4ccccc4)c3=O)nc2ccn1CCC[NH+]1CCOCC1	ZINC000038829191	558816114	/nfs/dbraw/zinc/81/61/14/558816114.db2.gz	BMYUDOBUYTXZLB-UHFFFAOYSA-N	1	1	416.481	2.423	50	5		HEBAMO
O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000002798651	568809678	/nfs/dbraw/zinc/80/96/78/568809678.db2.gz	ZRBWGSFWOMJACR-CQSZACIVSA-N	1	1	405.842	2.401	50	5		HEBAMO
COCC[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000058174358	568896636	/nfs/dbraw/zinc/89/66/36/568896636.db2.gz	XTECGRRJJNUVJF-NSHDSACASA-N	1	1	411.402	2.269	50	5		HEBAMO
Cc1ccc(C[N@H+]2CCCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1	ZINC000009747886	571284066	/nfs/dbraw/zinc/28/40/66/571284066.db2.gz	NKBCYHVWMBLYFU-UHFFFAOYSA-N	1	1	404.492	2.263	50	5		HEBAMO
CCN1CC[NH+](Cc2ccccc2CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1	ZINC000032916248	521688835	/nfs/dbraw/zinc/68/88/35/521688835.db2.gz	ICBSTKCHGWVCTP-UHFFFAOYSA-N	1	1	422.489	2.352	50	5		HEBAMO
COCC[N@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000058174357	568896600	/nfs/dbraw/zinc/89/66/00/568896600.db2.gz	XTECGRRJJNUVJF-LLVKDONJSA-N	1	1	411.402	2.269	50	5		HEBAMO
C[C@@H]1CN(C(=O)C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1	ZINC000045801705	524760749	/nfs/dbraw/zinc/76/07/49/524760749.db2.gz	XDHVQWQPXFRAMT-GASCZTMLSA-N	1	1	401.467	2.250	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000229979139	558487911	/nfs/dbraw/zinc/48/79/11/558487911.db2.gz	PHCUCRZMSHHYEJ-SUNYJGFJSA-N	1	1	416.478	2.406	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000229979139	558487914	/nfs/dbraw/zinc/48/79/14/558487914.db2.gz	PHCUCRZMSHHYEJ-SUNYJGFJSA-N	1	1	416.478	2.406	50	5		HEBAMO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000035870212	569063920	/nfs/dbraw/zinc/06/39/20/569063920.db2.gz	DFXAODFNBUSILX-IFMALSPDSA-N	1	1	424.501	2.221	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000252517708	569292237	/nfs/dbraw/zinc/29/22/37/569292237.db2.gz	PHCUCRZMSHHYEJ-DEYYWGMASA-N	1	1	416.478	2.406	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000252517708	569292238	/nfs/dbraw/zinc/29/22/38/569292238.db2.gz	PHCUCRZMSHHYEJ-DEYYWGMASA-N	1	1	416.478	2.406	50	5		HEBAMO
C[NH+]1CCN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000005157533	132303468	/nfs/dbraw/zinc/30/34/68/132303468.db2.gz	AKVIXOCGPRORMJ-UHFFFAOYSA-N	1	1	411.510	2.178	50	5		HEBAMO
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000019288279	569414597	/nfs/dbraw/zinc/41/45/97/569414597.db2.gz	PJAYHDDCKVBTSA-UHFFFAOYSA-N	1	1	422.283	2.207	50	5		HEBAMO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12	ZINC000169681774	569127701	/nfs/dbraw/zinc/12/77/01/569127701.db2.gz	AEZZOBLYJGKOKK-FPOVZHCZSA-N	1	1	416.522	2.353	50	5		HEBAMO
Cc1cccc(C[NH+]2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1	ZINC000039969261	571135124	/nfs/dbraw/zinc/13/51/24/571135124.db2.gz	MYFHNPNXAZEDER-UHFFFAOYSA-N	1	1	410.430	2.156	50	5		HEBAMO
Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-]	ZINC000020229863	568595155	/nfs/dbraw/zinc/59/51/55/568595155.db2.gz	OOTGNSZYZSBPBO-UHFFFAOYSA-N	1	1	409.450	2.494	50	5		HEBAMO
O=C(c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1)N1CCCc2ccccc21	ZINC000020638757	568638558	/nfs/dbraw/zinc/63/85/58/568638558.db2.gz	KWUMKTBLYJTVCO-UHFFFAOYSA-N	1	1	410.474	2.302	50	5		HEBAMO
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000020739059	568641123	/nfs/dbraw/zinc/64/11/23/568641123.db2.gz	NOKMAPIEJXEQGM-IAGOWNOFSA-N	1	1	416.478	2.409	50	5		HEBAMO
Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000012937061	569027375	/nfs/dbraw/zinc/02/73/75/569027375.db2.gz	CMIJCGAPQBABFE-UHFFFAOYSA-N	1	1	405.476	2.214	50	5		HEBAMO
CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286244	571064447	/nfs/dbraw/zinc/06/44/47/571064447.db2.gz	SRBGDPKPDFHXJP-SFHVURJKSA-N	1	1	402.451	2.498	50	5		HEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12)N1CCOCC1	ZINC000035871036	569064008	/nfs/dbraw/zinc/06/40/08/569064008.db2.gz	KCIDXIFPOAYZLR-PZJWPPBQSA-N	1	1	414.506	2.059	50	5		HEBAMO
O=C(c1cc(N2CC[NH2+]CC2)c2nc3ccccc3c(=O)n2c1)c1ccccc1O	ZINC000008986744	132334487	/nfs/dbraw/zinc/33/44/87/132334487.db2.gz	HCJVJLYCROZEQB-UHFFFAOYSA-N	1	1	400.438	2.194	50	5		HEBAMO
Nc1nc(NCCC[NH+]2CCOCC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-]	ZINC000020329195	568599198	/nfs/dbraw/zinc/59/91/98/568599198.db2.gz	SWTMHBFDSGLJKE-UHFFFAOYSA-N	1	1	407.862	2.498	50	5		HEBAMO
C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)NC3CC3)cc2[N+](=O)[O-])CC1	ZINC000016015345	569025597	/nfs/dbraw/zinc/02/55/97/569025597.db2.gz	NOYLSIDIYYQYMS-UHFFFAOYSA-N	1	1	423.473	2.491	50	5		HEBAMO
C[NH+]1CCN(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)CC1	ZINC000019831182	569430948	/nfs/dbraw/zinc/43/09/48/569430948.db2.gz	DRTOPHXEQDSUSO-DTQAZKPQSA-N	1	1	400.460	2.201	50	5		HEBAMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000034685946	568733732	/nfs/dbraw/zinc/73/37/32/568733732.db2.gz	KWYUKEIVYYDWTP-NRFANRHFSA-N	1	1	410.474	2.258	50	5		HEBAMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000229856075	568960893	/nfs/dbraw/zinc/96/08/93/568960893.db2.gz	WMOIDSVFHDUYQF-FBAVSBLXSA-N	1	1	418.409	2.026	50	5		HEBAMO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000169677331	569125380	/nfs/dbraw/zinc/12/53/80/569125380.db2.gz	DFXAODFNBUSILX-UNMCSNQZSA-N	1	1	424.501	2.221	50	5		HEBAMO
O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)nc2ccccn12	ZINC000012527450	132361877	/nfs/dbraw/zinc/36/18/77/132361877.db2.gz	GLLBHPJSYUKLQI-UHFFFAOYSA-N	1	1	416.441	2.473	50	5		HEBAMO
COc1ccc(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000018934889	568742915	/nfs/dbraw/zinc/74/29/15/568742915.db2.gz	JNVJKHQXVJSOJG-UHFFFAOYSA-N	1	1	414.462	2.239	50	5		HEBAMO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12	ZINC000035894854	569065150	/nfs/dbraw/zinc/06/51/50/569065150.db2.gz	AEZZOBLYJGKOKK-PZJWPPBQSA-N	1	1	416.522	2.353	50	5		HEBAMO
CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000055226446	569394985	/nfs/dbraw/zinc/39/49/85/569394985.db2.gz	BVCQXFMQEMJISI-GOSISDBHSA-N	1	1	402.451	2.498	50	5		HEBAMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000022374413	568766980	/nfs/dbraw/zinc/76/69/80/568766980.db2.gz	CQAMGTCUYSGLMU-UHFFFAOYSA-N	1	1	405.476	2.214	50	5		HEBAMO
CC(C)C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCOCC1	ZINC000026304343	569031119	/nfs/dbraw/zinc/03/11/19/569031119.db2.gz	SMNODYMVXSISTC-FQEVSTJZSA-N	1	1	419.526	2.173	50	5		HEBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12)N1CCOCC1	ZINC000035871038	569064018	/nfs/dbraw/zinc/06/40/18/569064018.db2.gz	KCIDXIFPOAYZLR-TZIWHRDSSA-N	1	1	414.506	2.059	50	5		HEBAMO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000013685985	558854470	/nfs/dbraw/zinc/85/44/70/558854470.db2.gz	PTAAMSSDVVNNBX-RQXXJAGISA-N	1	1	418.409	2.026	50	5		HEBAMO
O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1	ZINC000026170463	569027823	/nfs/dbraw/zinc/02/78/23/569027823.db2.gz	BFYIZHQIWZNBBV-QGZVFWFLSA-N	1	1	415.450	2.152	50	5		HEBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12)N1CCOCC1	ZINC000035871042	569064046	/nfs/dbraw/zinc/06/40/46/569064046.db2.gz	KCIDXIFPOAYZLR-CTNGQTDRSA-N	1	1	414.506	2.059	50	5		HEBAMO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12	ZINC000169681773	569127825	/nfs/dbraw/zinc/12/78/25/569127825.db2.gz	AEZZOBLYJGKOKK-CTNGQTDRSA-N	1	1	416.522	2.353	50	5		HEBAMO
CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286238	571064386	/nfs/dbraw/zinc/06/43/86/571064386.db2.gz	SRBGDPKPDFHXJP-GOSISDBHSA-N	1	1	402.451	2.498	50	5		HEBAMO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000035870213	569063956	/nfs/dbraw/zinc/06/39/56/569063956.db2.gz	DFXAODFNBUSILX-RBBKRZOGSA-N	1	1	424.501	2.221	50	5		HEBAMO
COC(=O)c1cc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc([N+](=O)[O-])c1	ZINC000078879191	569395616	/nfs/dbraw/zinc/39/56/16/569395616.db2.gz	DWVCJIRLOUZKMX-CQSZACIVSA-N	1	1	405.451	2.145	50	5		HEBAMO
CCOc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(N)c2[N+](=O)[O-])cc1	ZINC000020289028	568597468	/nfs/dbraw/zinc/59/74/68/568597468.db2.gz	GPIPLJKEECCWLT-UHFFFAOYSA-N	1	1	417.470	2.244	50	5		HEBAMO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000033667775	559226658	/nfs/dbraw/zinc/22/66/58/559226658.db2.gz	WMOIDSVFHDUYQF-QSNWEANLSA-N	1	1	418.409	2.026	50	5		HEBAMO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000229856071	568960890	/nfs/dbraw/zinc/96/08/90/568960890.db2.gz	WMOIDSVFHDUYQF-KCXPTXFHSA-N	1	1	418.409	2.026	50	5		HEBAMO
CC[NH+]1CCN([C@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000002457545	557837240	/nfs/dbraw/zinc/83/72/40/557837240.db2.gz	CLNSJUAXABWTBX-IBGZPJMESA-N	1	1	404.467	2.061	50	5		HEBAMO
Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1	ZINC000029822818	568836467	/nfs/dbraw/zinc/83/64/67/568836467.db2.gz	GFONSRZXSQEKDD-UHFFFAOYSA-N	1	1	403.468	2.195	50	5		HEBAMO
Nc1nc(NCc2ccco2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000054147611	569059871	/nfs/dbraw/zinc/05/98/71/569059871.db2.gz	IOUDELVITWLHKX-UHFFFAOYSA-N	1	1	409.450	2.494	50	5		HEBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12)N1CCOCC1	ZINC000035871040	569064034	/nfs/dbraw/zinc/06/40/34/569064034.db2.gz	KCIDXIFPOAYZLR-FPOVZHCZSA-N	1	1	414.506	2.059	50	5		HEBAMO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000002334693	569376020	/nfs/dbraw/zinc/37/60/20/569376020.db2.gz	WMOIDSVFHDUYQF-SUWCGCSTSA-N	1	1	418.409	2.026	50	5		HEBAMO
CC[NH+](CC)CCSc1nc(N)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c(=O)[nH]1	ZINC000010243321	569395248	/nfs/dbraw/zinc/39/52/48/569395248.db2.gz	FAHAVWWGJUUNRX-UHFFFAOYSA-N	1	1	420.495	2.255	50	5		HEBAMO
C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)CC1	ZINC000005164520	132303644	/nfs/dbraw/zinc/30/36/44/132303644.db2.gz	UZDGMBQITAYGJL-UHFFFAOYSA-N	1	1	411.510	2.178	50	5		HEBAMO
C[NH+]1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)CC1	ZINC000019781913	523867755	/nfs/dbraw/zinc/86/77/55/523867755.db2.gz	DRTOPHXEQDSUSO-SSZFMOIBSA-N	1	1	400.460	2.201	50	5		HEBAMO
Cc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(N)c2[N+](=O)[O-])cc1C	ZINC000020327091	568598639	/nfs/dbraw/zinc/59/86/39/568598639.db2.gz	JXNSQQRBHSLNMA-UHFFFAOYSA-N	1	1	401.471	2.462	50	5		HEBAMO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12	ZINC000035894852	569065132	/nfs/dbraw/zinc/06/51/32/569065132.db2.gz	AEZZOBLYJGKOKK-TZIWHRDSSA-N	1	1	416.522	2.353	50	5		HEBAMO
COC(=O)c1cc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc([N+](=O)[O-])c1	ZINC000078879188	569395620	/nfs/dbraw/zinc/39/56/20/569395620.db2.gz	DWVCJIRLOUZKMX-AWEZNQCLSA-N	1	1	405.451	2.145	50	5		HEBAMO
CC[NH+]1CCN([C@@H](C(=O)NC2CCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000002457546	557837194	/nfs/dbraw/zinc/83/71/94/557837194.db2.gz	CLNSJUAXABWTBX-LJQANCHMSA-N	1	1	404.467	2.061	50	5		HEBAMO
O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCCNc1ccc([N+](=O)[O-])cc1	ZINC000005041242	559235462	/nfs/dbraw/zinc/23/54/62/559235462.db2.gz	YHPKKOMGUHXZPV-UHFFFAOYSA-N	1	1	411.506	2.331	50	5		HEBAMO
C[C@H]1CN(C(=O)C2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1	ZINC000045801706	524460429	/nfs/dbraw/zinc/46/04/29/524460429.db2.gz	XDHVQWQPXFRAMT-GJZGRUSLSA-N	1	1	401.467	2.250	50	5		HEBAMO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000169677330	569125335	/nfs/dbraw/zinc/12/53/35/569125335.db2.gz	DFXAODFNBUSILX-IRLDBZIGSA-N	1	1	424.501	2.221	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000252517709	569292285	/nfs/dbraw/zinc/29/22/85/569292285.db2.gz	PHCUCRZMSHHYEJ-IYOUNJFTSA-N	1	1	416.478	2.406	50	5		HEBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000252517709	569292286	/nfs/dbraw/zinc/29/22/86/569292286.db2.gz	PHCUCRZMSHHYEJ-IYOUNJFTSA-N	1	1	416.478	2.406	50	5		HEBAMO