smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000409066578	556629510	/nfs/dbraw/zinc/62/95/10/556629510.db2.gz	PAIQIGXRSAGVNQ-ONUAPLEPSA-N	-1	0	431.220	2.661	40	5		IFBBRM
COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000409209401	556634231	/nfs/dbraw/zinc/63/42/31/556634231.db2.gz	FFMUCKOSGJUBEU-MFOYZWKCSA-N	-1	0	443.437	2.662	40	5		IFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1	ZINC000409322354	557059848	/nfs/dbraw/zinc/05/98/48/557059848.db2.gz	JKPBJIDTLJRPKE-VQHVLOKHSA-N	-1	0	445.409	2.743	40	5		IFBBRM
O=C([O-])COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000409358139	557085432	/nfs/dbraw/zinc/08/54/32/557085432.db2.gz	KEUJWTGGDJPUIX-RQZCQDPDSA-N	-1	0	442.405	2.977	40	5		IFBBRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000408593670	557420791	/nfs/dbraw/zinc/42/07/91/557420791.db2.gz	QVNIMIVGJVKPLN-CXUHLZMHSA-N	-1	0	441.396	2.550	40	5		IFBBRM
Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000224736348	569184291	/nfs/dbraw/zinc/18/42/91/569184291.db2.gz	XPTYTXCNJXHUHW-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
Cc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br	ZINC000224752521	569185198	/nfs/dbraw/zinc/18/51/98/569185198.db2.gz	YBKIRHZLOSRTCV-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000224792630	569187063	/nfs/dbraw/zinc/18/70/63/569187063.db2.gz	SKAVEIJOBXGPBY-UHFFFAOYSA-N	-1	0	435.443	2.508	40	5		IFBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000214669349	556339853	/nfs/dbraw/zinc/33/98/53/556339853.db2.gz	KYPGMMISHINOBQ-OQLLNIDSSA-N	-1	0	429.410	2.984	40	5		IFBBRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000002270604	556799621	/nfs/dbraw/zinc/79/96/21/556799621.db2.gz	WBLUOXAUDSSLTK-BSKAQADGSA-N	-1	0	449.419	2.771	40	5		IFBBRM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409071482	556945809	/nfs/dbraw/zinc/94/58/09/556945809.db2.gz	OWGLOQMGXIXYOF-XREMMQICSA-N	-1	0	431.220	2.661	40	5		IFBBRM
Cn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000409147416	556973048	/nfs/dbraw/zinc/97/30/48/556973048.db2.gz	WJTOGEGMKIXMHF-UHFFFAOYSA-N	-1	0	430.402	2.735	40	5		IFBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409350159	557078146	/nfs/dbraw/zinc/07/81/46/557078146.db2.gz	SZVDAEDCRSXVRJ-OQLLNIDSSA-N	-1	0	435.458	2.604	40	5		IFBBRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000408603956	557421112	/nfs/dbraw/zinc/42/11/12/557421112.db2.gz	CIDYKOXSBVINQH-IBGZPJMESA-N	-1	0	442.428	2.867	40	5		IFBBRM
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)cc1	ZINC000016920697	569166373	/nfs/dbraw/zinc/16/63/73/569166373.db2.gz	QIOPJMNOVKKMEG-PXNMLYILSA-N	-1	0	429.410	2.984	40	5		IFBBRM
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1[N+](=O)[O-]	ZINC000016978374	569169117	/nfs/dbraw/zinc/16/91/17/569169117.db2.gz	KWHHHXDUIKSMBM-UHFFFAOYSA-N	-1	0	448.482	2.900	40	5		IFBBRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2sccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CC[C@@H]1O2	ZINC000017097441	569173175	/nfs/dbraw/zinc/17/31/75/569173175.db2.gz	RKENISGMPWTCEK-QPSCCSFWSA-N	-1	0	431.426	2.725	40	5		IFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000107969564	569251931	/nfs/dbraw/zinc/25/19/31/569251931.db2.gz	QKOLQDGRDAHPEX-SOFGYWHQSA-N	-1	0	440.368	2.638	40	5		IFBBRM
Cc1cc(C(=O)[O-])ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020153305	524192289	/nfs/dbraw/zinc/19/22/89/524192289.db2.gz	INIWSCKAUOSZGU-UHFFFAOYSA-N	-1	0	444.469	2.565	40	5		IFBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408966321	556626759	/nfs/dbraw/zinc/62/67/59/556626759.db2.gz	ZRAUETJJELUKGG-SXGWCWSVSA-N	-1	0	429.410	2.984	40	5		IFBBRM
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409213511	556634653	/nfs/dbraw/zinc/63/46/53/556634653.db2.gz	PLFLUXXOXNLRHT-SXGWCWSVSA-N	-1	0	429.410	2.984	40	5		IFBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1O	ZINC000409335771	556636913	/nfs/dbraw/zinc/63/69/13/556636913.db2.gz	ZJPWGIVPDDCZED-ARJAWSKDSA-N	-1	0	445.169	2.675	40	5		IFBBRM
COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000408611531	557421953	/nfs/dbraw/zinc/42/19/53/557421953.db2.gz	SWGNNPUAMMCAOZ-SFHVURJKSA-N	-1	0	427.457	2.967	40	5		IFBBRM
Cc1ccc(S(=O)(=O)[N-]c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000016310675	568876693	/nfs/dbraw/zinc/87/66/93/568876693.db2.gz	FDGJBIWJSAFMOG-UHFFFAOYSA-N	-1	0	439.496	2.993	40	5		IFBBRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1OC	ZINC000224817696	569187692	/nfs/dbraw/zinc/18/76/92/569187692.db2.gz	JDNCIYRGXJVJEJ-UHFFFAOYSA-N	-1	0	430.822	2.545	40	5		IFBBRM
COc1cc(N(CC(=O)[O-])S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl	ZINC000225093157	569215906	/nfs/dbraw/zinc/21/59/06/569215906.db2.gz	WXKBVWUHQDXVAB-UHFFFAOYSA-N	-1	0	444.849	2.854	40	5		IFBBRM
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000107860940	569251547	/nfs/dbraw/zinc/25/15/47/569251547.db2.gz	VKWJKGYWPFRLHP-GDNBJRDFSA-N	-1	0	435.458	2.748	40	5		IFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	ZINC000225558277	569404265	/nfs/dbraw/zinc/40/42/65/569404265.db2.gz	FTYOBOOGAKSYDS-UHFFFAOYSA-N	-1	0	449.470	2.816	40	5		IFBBRM
NC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])cc2s1	ZINC000408749686	556619709	/nfs/dbraw/zinc/61/97/09/556619709.db2.gz	ISKLQSMZYBRDRH-UHFFFAOYSA-N	-1	0	432.439	2.732	40	5		IFBBRM
O=C([O-])COc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409357885	556637893	/nfs/dbraw/zinc/63/78/93/556637893.db2.gz	RYDYHEOHOYRGML-RQZCQDPDSA-N	-1	0	442.405	2.977	40	5		IFBBRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000013892113	556749351	/nfs/dbraw/zinc/74/93/51/556749351.db2.gz	HVFPGQWLEVNWOQ-NYYWCZLTSA-N	-1	0	425.426	2.838	40	5		IFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1	ZINC000409316570	557060441	/nfs/dbraw/zinc/06/04/41/557060441.db2.gz	ZMULVRYODAHGRH-VQHVLOKHSA-N	-1	0	438.396	2.993	40	5		IFBBRM
O=C([O-])CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225036120	569213529	/nfs/dbraw/zinc/21/35/29/569213529.db2.gz	QAGYMWAARSCOAI-UHFFFAOYSA-N	-1	0	433.211	2.776	40	5		IFBBRM
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)o1	ZINC000107939116	569251787	/nfs/dbraw/zinc/25/17/87/569251787.db2.gz	FHVNGIHHIIMAKZ-VGOFMYFVSA-N	-1	0	434.382	2.925	40	5		IFBBRM
O=[N+]([O-])c1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1	ZINC000009833272	569298090	/nfs/dbraw/zinc/29/80/90/569298090.db2.gz	WXAQPJPABGAKLU-JMSVASOKSA-N	-1	0	431.417	2.925	40	5		IFBBRM
O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020108212	569334349	/nfs/dbraw/zinc/33/43/49/569334349.db2.gz	NBCBQBXOKRXWRI-UHFFFAOYSA-N	-1	0	426.454	2.862	40	5		IFBBRM
Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1C(=O)[O-]	ZINC000020153302	569336194	/nfs/dbraw/zinc/33/61/94/569336194.db2.gz	YYCSUCZRZXTRNH-UHFFFAOYSA-N	-1	0	444.469	2.565	40	5		IFBBRM
O=[N+]([O-])c1ccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000008763680	569474238	/nfs/dbraw/zinc/47/42/38/569474238.db2.gz	KOBVYOOJDQINFH-LALPHHSUSA-N	-1	0	431.417	2.925	40	5		IFBBRM
O=[N+]([O-])c1cccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1	ZINC000008763676	569474257	/nfs/dbraw/zinc/47/42/57/569474257.db2.gz	WXAQPJPABGAKLU-XUJVJEKNSA-N	-1	0	431.417	2.925	40	5		IFBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000020153296	526235285	/nfs/dbraw/zinc/23/52/85/526235285.db2.gz	VGLWVRPEAXCCCJ-UHFFFAOYSA-N	-1	0	444.469	2.565	40	5		IFBBRM
COc1ccc(/C=C2\SC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1	ZINC000408762174	556620095	/nfs/dbraw/zinc/62/00/95/556620095.db2.gz	NMFUYSKTVQFNHU-SXGWCWSVSA-N	-1	0	429.410	2.993	40	5		IFBBRM
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409022482	556922823	/nfs/dbraw/zinc/92/28/23/556922823.db2.gz	QADUMDCWZHSYSI-VGOFMYFVSA-N	-1	0	430.804	2.794	40	5		IFBBRM
COc1cccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409241243	557031679	/nfs/dbraw/zinc/03/16/79/557031679.db2.gz	SJAPFTDCLWCGNL-YUSFRKCESA-N	-1	0	441.396	2.548	40	5		IFBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409242972	557032855	/nfs/dbraw/zinc/03/28/55/557032855.db2.gz	XEDCKTJHLBWYFU-OQLLNIDSSA-N	-1	0	429.410	2.984	40	5		IFBBRM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000014398976	557337117	/nfs/dbraw/zinc/33/71/17/557337117.db2.gz	DZVUAWBTEHGBLS-UHFFFAOYSA-N	-1	0	427.504	2.735	40	5		IFBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014269642	557428873	/nfs/dbraw/zinc/42/88/73/557428873.db2.gz	ZHAMSEDDDFSXAS-UHFFFAOYSA-N	-1	0	444.469	2.565	40	5		IFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	ZINC000225526915	557841200	/nfs/dbraw/zinc/84/12/00/557841200.db2.gz	URMAPLRKNLWJFQ-UHFFFAOYSA-N	-1	0	449.470	2.816	40	5		IFBBRM
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1	ZINC000224736012	569184270	/nfs/dbraw/zinc/18/42/70/569184270.db2.gz	RERDERQAHHZOMG-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
O=C([O-])CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224757729	569185245	/nfs/dbraw/zinc/18/52/45/569185245.db2.gz	HLXYXVLPWSWTHD-UHFFFAOYSA-N	-1	0	433.211	2.776	40	5		IFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(Br)cc1	ZINC000225073639	569214301	/nfs/dbraw/zinc/21/43/01/569214301.db2.gz	CYSAMFKFJSYWEL-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2[O-])C1=O)N1CCc2ccccc2C1	ZINC000108257113	569252884	/nfs/dbraw/zinc/25/28/84/569252884.db2.gz	BBVYMDRJYBIMJZ-YVLHZVERSA-N	-1	0	439.449	2.922	40	5		IFBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1O	ZINC000020153176	526352492	/nfs/dbraw/zinc/35/24/92/526352492.db2.gz	WQURDOZDPOUDLC-UHFFFAOYSA-N	-1	0	430.442	2.726	40	5		IFBBRM
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000035570624	526796861	/nfs/dbraw/zinc/79/68/61/526796861.db2.gz	HRSWXPBHQXZLBK-CKEIUWERSA-N	-1	0	441.387	2.569	40	5		IFBBRM
NC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)[O-])cc2s1	ZINC000408749674	556619687	/nfs/dbraw/zinc/61/96/87/556619687.db2.gz	ILMYSHHNWXJPGW-UHFFFAOYSA-N	-1	0	432.439	2.732	40	5		IFBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1	ZINC000409217077	556634931	/nfs/dbraw/zinc/63/49/31/556634931.db2.gz	RHUGGDUKLBCQHE-ZDLGFXPLSA-N	-1	0	439.449	2.922	40	5		IFBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1	ZINC000013949616	556975861	/nfs/dbraw/zinc/97/58/61/556975861.db2.gz	NPPVQLFDBQSDPU-UHFFFAOYSA-N	-1	0	439.515	2.960	40	5		IFBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(I)c1O	ZINC000409309961	557056935	/nfs/dbraw/zinc/05/69/35/557056935.db2.gz	OOAQCLTUKGNXMW-ARJAWSKDSA-N	-1	0	445.169	2.675	40	5		IFBBRM
COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000016920693	569166325	/nfs/dbraw/zinc/16/63/25/569166325.db2.gz	MJJOLQWAONXMMY-PXNMLYILSA-N	-1	0	429.410	2.984	40	5		IFBBRM
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)n1	ZINC000002763563	569420570	/nfs/dbraw/zinc/42/05/70/569420570.db2.gz	ZBQULHFWTZVOBH-UHFFFAOYSA-N	-1	0	445.457	2.873	40	5		IFBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2	ZINC000409171145	556633104	/nfs/dbraw/zinc/63/31/04/556633104.db2.gz	YGIMJDGLXWWRAN-OMCISZLKSA-N	-1	0	443.393	2.704	40	5		IFBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1	ZINC000409241214	556636205	/nfs/dbraw/zinc/63/62/05/556636205.db2.gz	JLRLBVJBSVLQNZ-CXUHLZMHSA-N	-1	0	429.410	2.984	40	5		IFBBRM
CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000207564932	568889560	/nfs/dbraw/zinc/88/95/60/568889560.db2.gz	MLWRVKIJFVUCNO-OAHLLOKOSA-N	-1	0	425.438	2.969	40	5		IFBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000017097446	569172633	/nfs/dbraw/zinc/17/26/33/569172633.db2.gz	WGIRCTSYMBRFLY-UHFFFAOYSA-N	-1	0	431.430	2.936	40	5		IFBBRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2sccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2CC[C@@H]1O2	ZINC000017097440	569172823	/nfs/dbraw/zinc/17/28/23/569172823.db2.gz	RKENISGMPWTCEK-CBBWQLFWSA-N	-1	0	431.426	2.725	40	5		IFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000224769357	569185933	/nfs/dbraw/zinc/18/59/33/569185933.db2.gz	ZZGCLDIUQVAZSH-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
COc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl	ZINC000224791036	569187097	/nfs/dbraw/zinc/18/70/97/569187097.db2.gz	HHWIMUFVMVPCBM-UHFFFAOYSA-N	-1	0	444.849	2.854	40	5		IFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000224791580	569187111	/nfs/dbraw/zinc/18/71/11/569187111.db2.gz	JUPHJOKKLIFSQI-UHFFFAOYSA-N	-1	0	429.794	2.745	40	5		IFBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1O	ZINC000020153174	569336233	/nfs/dbraw/zinc/33/62/33/569336233.db2.gz	VTOZGWNKPTVLBO-UHFFFAOYSA-N	-1	0	430.442	2.726	40	5		IFBBRM
CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409200863	556633530	/nfs/dbraw/zinc/63/35/30/556633530.db2.gz	JUMOLONDFFOZLZ-GDNBJRDFSA-N	-1	0	437.474	2.994	40	5		IFBBRM
Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000409208603	556634183	/nfs/dbraw/zinc/63/41/83/556634183.db2.gz	CTXUZLCPGGDVLT-MFOYZWKCSA-N	-1	0	427.438	2.962	40	5		IFBBRM
COc1cccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409241239	556635859	/nfs/dbraw/zinc/63/58/59/556635859.db2.gz	SJAPFTDCLWCGNL-KPENOIPVSA-N	-1	0	441.396	2.548	40	5		IFBBRM
O=C([O-])[C@H]1CS[C@@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1	ZINC000408990025	556911182	/nfs/dbraw/zinc/91/11/82/556911182.db2.gz	JSCZCZHJASCGHL-DOMZBBRYSA-N	-1	0	430.471	2.510	40	5		IFBBRM
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409199210	556998533	/nfs/dbraw/zinc/99/85/33/556998533.db2.gz	BUBPEJOEQGFCSZ-PDICVPPASA-N	-1	0	435.458	2.746	40	5		IFBBRM
O=C(CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O)Nc1ccccc1F	ZINC000409215782	557010691	/nfs/dbraw/zinc/01/06/91/557010691.db2.gz	FFCWXTRAUMDVOR-AWNIVKPZSA-N	-1	0	434.767	2.624	40	5		IFBBRM
COc1cc(N(CC(=O)[O-])S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl	ZINC000225015345	569213478	/nfs/dbraw/zinc/21/34/78/569213478.db2.gz	JNYZXKWCYCCWRQ-UHFFFAOYSA-N	-1	0	430.822	2.545	40	5		IFBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	ZINC000020457205	527394329	/nfs/dbraw/zinc/39/43/29/527394329.db2.gz	USBHMUCJYCQLSG-UHFFFAOYSA-N	-1	0	425.488	2.570	40	5		IFBBRM
CCOC(=O)COc1c(Cl)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000409319836	556636896	/nfs/dbraw/zinc/63/68/96/556636896.db2.gz	MKRKBZVBOOPUSM-SNAWJCMRSA-N	-1	0	425.781	2.570	40	5		IFBBRM
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O)N1CCc2ccccc2C1	ZINC000409378219	556638642	/nfs/dbraw/zinc/63/86/42/556638642.db2.gz	NPWUZSVRTMBBRZ-ZDLGFXPLSA-N	-1	0	439.449	2.922	40	5		IFBBRM
CCOC(=O)COc1c(Cl)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000409347496	557075628	/nfs/dbraw/zinc/07/56/28/557075628.db2.gz	PZNHBSSTYTUCEG-SNAWJCMRSA-N	-1	0	425.781	2.570	40	5		IFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cc([N+](=O)[O-])ccc1Cl	ZINC000225093633	569215933	/nfs/dbraw/zinc/21/59/33/569215933.db2.gz	JVAHCSUMHQXGAU-UHFFFAOYSA-N	-1	0	429.794	2.745	40	5		IFBBRM
O=C([O-])[C@H]1CS[C@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1	ZINC000408990028	556911111	/nfs/dbraw/zinc/91/11/11/556911111.db2.gz	JSCZCZHJASCGHL-IUODEOHRSA-N	-1	0	430.471	2.510	40	5		IFBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	ZINC000223293958	568794149	/nfs/dbraw/zinc/79/41/49/568794149.db2.gz	DDKIIVJHIYTSOY-UHFFFAOYSA-N	-1	0	449.470	2.816	40	5		IFBBRM
COc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)cc1Cl	ZINC000224762693	569185946	/nfs/dbraw/zinc/18/59/46/569185946.db2.gz	WYASCDRINRPSHS-UHFFFAOYSA-N	-1	0	430.822	2.545	40	5		IFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2Br)cc1[N+](=O)[O-]	ZINC000224773695	569186349	/nfs/dbraw/zinc/18/63/49/569186349.db2.gz	NDCQYZXXCSHADM-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
COc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	ZINC000225040620	569214891	/nfs/dbraw/zinc/21/48/91/569214891.db2.gz	XRPVGFIZUNDHPS-UHFFFAOYSA-N	-1	0	430.822	2.545	40	5		IFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1	ZINC000108259106	569252845	/nfs/dbraw/zinc/25/28/45/569252845.db2.gz	URAHWCMNUXAHQK-KRXBUXKQSA-N	-1	0	427.344	2.509	40	5		IFBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1O	ZINC000020153352	569336122	/nfs/dbraw/zinc/33/61/22/569336122.db2.gz	FPTKKIMYVQNWFT-UHFFFAOYSA-N	-1	0	430.442	2.726	40	5		IFBBRM
O=C([O-])Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1	ZINC000020153351	569336226	/nfs/dbraw/zinc/33/62/26/569336226.db2.gz	REAFXMSLLFYCLF-UHFFFAOYSA-N	-1	0	428.470	2.949	40	5		IFBBRM
Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000009064706	132301767	/nfs/dbraw/zinc/30/17/67/132301767.db2.gz	JZDPXPDSMOSTJI-UHFFFAOYSA-N	-1	0	444.469	2.565	40	5		IFBBRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000035897861	526336761	/nfs/dbraw/zinc/33/67/61/526336761.db2.gz	RKENISGMPWTCEK-BARDWOONSA-N	-1	0	431.426	2.725	40	5		IFBBRM
COc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409218145	556634529	/nfs/dbraw/zinc/63/45/29/556634529.db2.gz	YXIBMEGTKDHZMU-NVNXTCNLSA-N	-1	0	437.474	2.991	40	5		IFBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1[O-]	ZINC000106755186	557532208	/nfs/dbraw/zinc/53/22/08/557532208.db2.gz	FUAXBBKDWYOSRX-DHDCSXOGSA-N	-1	0	435.458	2.748	40	5		IFBBRM
Cc1cc(N(CC(=O)[O-])S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Br	ZINC000225006248	557676584	/nfs/dbraw/zinc/67/65/84/557676584.db2.gz	NEEJMTBQEUYGSH-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000170591596	569140802	/nfs/dbraw/zinc/14/08/02/569140802.db2.gz	HRSWXPBHQXZLBK-CPUCHLNUSA-N	-1	0	441.387	2.569	40	5		IFBBRM
O=C([O-])CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225010937	569213368	/nfs/dbraw/zinc/21/33/68/569213368.db2.gz	LHGYVIULDAXNJE-UHFFFAOYSA-N	-1	0	433.211	2.776	40	5		IFBBRM
O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000011990801	569303270	/nfs/dbraw/zinc/30/32/70/569303270.db2.gz	KOBVYOOJDQINFH-XUJVJEKNSA-N	-1	0	431.417	2.925	40	5		IFBBRM
O=C([O-])c1ccc(CNC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000020153170	569336238	/nfs/dbraw/zinc/33/62/38/569336238.db2.gz	YEINGSQMCUOVAC-UHFFFAOYSA-N	-1	0	428.470	2.698	40	5		IFBBRM
COc1ccc(/C=C2\SC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	ZINC000408766132	556619974	/nfs/dbraw/zinc/61/99/74/556619974.db2.gz	ZQNCJAYLCLLHCF-YBEGLDIGSA-N	-1	0	429.410	2.993	40	5		IFBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409138960	556631126	/nfs/dbraw/zinc/63/11/26/556631126.db2.gz	KMZQHBRIETZCPQ-VGOFMYFVSA-N	-1	0	431.382	2.912	40	5		IFBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1[O-]	ZINC000409014868	556920478	/nfs/dbraw/zinc/92/04/78/556920478.db2.gz	LUDQAANKNXPNCK-CXUHLZMHSA-N	-1	0	440.412	2.539	40	5		IFBBRM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409071481	556945716	/nfs/dbraw/zinc/94/57/16/556945716.db2.gz	OWGLOQMGXIXYOF-UEEORIODSA-N	-1	0	431.220	2.661	40	5		IFBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106757399	557532201	/nfs/dbraw/zinc/53/22/01/557532201.db2.gz	YQSHABHLCJDSIB-GDNBJRDFSA-N	-1	0	435.458	2.748	40	5		IFBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000224769027	569186011	/nfs/dbraw/zinc/18/60/11/569186011.db2.gz	LLCTXMFYJDYBHS-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1	ZINC000108084936	569252379	/nfs/dbraw/zinc/25/23/79/569252379.db2.gz	OWFRGUZOZRONHU-YCRREMRBSA-N	-1	0	441.371	2.899	40	5		IFBBRM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1	ZINC000113889601	569297072	/nfs/dbraw/zinc/29/70/72/569297072.db2.gz	ASZULMTZBYZEIN-UHFFFAOYSA-N	-1	0	445.247	2.646	40	5		IFBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(I)c1OC	ZINC000409313654	557058213	/nfs/dbraw/zinc/05/82/13/557058213.db2.gz	QNWLUUWTTSAIRY-ARJAWSKDSA-N	-1	0	445.169	2.588	40	5		IFBBRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1	ZINC000408603958	557421083	/nfs/dbraw/zinc/42/10/83/557421083.db2.gz	CIDYKOXSBVINQH-LJQANCHMSA-N	-1	0	442.428	2.867	40	5		IFBBRM
COc1ccc(C(=O)N2CCN([C@H](CCC(=O)[O-])c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000408611530	557421965	/nfs/dbraw/zinc/42/19/65/557421965.db2.gz	SWGNNPUAMMCAOZ-GOSISDBHSA-N	-1	0	427.457	2.967	40	5		IFBBRM
Cc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br	ZINC000225030757	569213750	/nfs/dbraw/zinc/21/37/50/569213750.db2.gz	NXXUDXWZDIVFII-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000016124247	569225669	/nfs/dbraw/zinc/22/56/69/569225669.db2.gz	MYCIUPVADLAAIC-UHFFFAOYSA-N	-1	0	439.515	2.879	40	5		IFBBRM
Cc1cc(C(=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000020153135	569336206	/nfs/dbraw/zinc/33/62/06/569336206.db2.gz	JUDGLRKICCGMPY-UHFFFAOYSA-N	-1	0	444.469	2.565	40	5		IFBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc([N-]S(=O)(=O)c3ccccc3)s2)cc1	ZINC000016491544	527376549	/nfs/dbraw/zinc/37/65/49/527376549.db2.gz	UWQOQLIGBVLDBY-UHFFFAOYSA-N	-1	0	425.469	2.685	40	5		IFBBRM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000409066570	556629602	/nfs/dbraw/zinc/62/96/02/556629602.db2.gz	PAIQIGXRSAGVNQ-KIUQOZPWSA-N	-1	0	431.220	2.661	40	5		IFBBRM
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409199209	556633884	/nfs/dbraw/zinc/63/38/84/556633884.db2.gz	BUBPEJOEQGFCSZ-GPILYODUSA-N	-1	0	435.458	2.746	40	5		IFBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([O-])ccc3[N+](=O)[O-])C2=O)cc1	ZINC000409228812	556635587	/nfs/dbraw/zinc/63/55/87/556635587.db2.gz	FNMIIRFCOYIIMH-CXUHLZMHSA-N	-1	0	429.410	2.984	40	5		IFBBRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000002270606	562926718	/nfs/dbraw/zinc/92/67/18/562926718.db2.gz	WBLUOXAUDSSLTK-GDLUXTLDSA-N	-1	0	449.419	2.771	40	5		IFBBRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2OC)cc1Cl	ZINC000224964208	569204293	/nfs/dbraw/zinc/20/42/93/569204293.db2.gz	NOXYICVTLPEVDB-UHFFFAOYSA-N	-1	0	430.822	2.545	40	5		IFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cccc(Br)c1	ZINC000225073360	569214227	/nfs/dbraw/zinc/21/42/27/569214227.db2.gz	FGFOKFWFZZZHDP-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccccc1Br	ZINC000225077550	569214235	/nfs/dbraw/zinc/21/42/35/569214235.db2.gz	ZHSNEJNJZBPKRE-UHFFFAOYSA-N	-1	0	429.248	2.946	40	5		IFBBRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409022870	556628459	/nfs/dbraw/zinc/62/84/59/556628459.db2.gz	VDIWQVWTOFXPHF-OVCLIPMQSA-N	-1	0	440.412	2.539	40	5		IFBBRM
O=C([O-])CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O	ZINC000408597269	557421868	/nfs/dbraw/zinc/42/18/68/557421868.db2.gz	UPQNATBRFYCRFM-SDQBBNPISA-N	-1	0	436.174	2.595	40	5		IFBBRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408594754	557421959	/nfs/dbraw/zinc/42/19/59/557421959.db2.gz	OZNVVKHJJMBYHU-CXUHLZMHSA-N	-1	0	441.396	2.550	40	5		IFBBRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000224884622	557662391	/nfs/dbraw/zinc/66/23/91/557662391.db2.gz	PSKHAAYVBQFERC-UHFFFAOYSA-N	-1	0	445.247	2.646	40	5		IFBBRM
COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)c1	ZINC000016920593	569166404	/nfs/dbraw/zinc/16/64/04/569166404.db2.gz	SPYPGJTXGMXGOQ-PXNMLYILSA-N	-1	0	429.410	2.984	40	5		IFBBRM
O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000009833273	569298096	/nfs/dbraw/zinc/29/80/96/569298096.db2.gz	KOBVYOOJDQINFH-TYNCELHUSA-N	-1	0	431.417	2.925	40	5		IFBBRM
O=[N+]([O-])c1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000011990802	569303226	/nfs/dbraw/zinc/30/32/26/569303226.db2.gz	KOBVYOOJDQINFH-JMSVASOKSA-N	-1	0	431.417	2.925	40	5		IFBBRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)n1	ZINC000020048278	569332682	/nfs/dbraw/zinc/33/26/82/569332682.db2.gz	YOLBUGCZMMCBRL-UHFFFAOYSA-N	-1	0	441.469	2.984	40	5		IFBBRM
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1	ZINC000020041066	569332767	/nfs/dbraw/zinc/33/27/67/569332767.db2.gz	XKWBCCZWFJFZCG-UHFFFAOYSA-N	-1	0	448.482	2.733	40	5		IFBBRM
O=C([O-])Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000020153172	569336197	/nfs/dbraw/zinc/33/61/97/569336197.db2.gz	YTSXPRKAGIMZRE-UHFFFAOYSA-N	-1	0	428.470	2.949	40	5		IFBBRM
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000035570618	526797782	/nfs/dbraw/zinc/79/77/82/526797782.db2.gz	HRSWXPBHQXZLBK-JKIFEVAISA-N	-1	0	441.387	2.569	40	5		IFBBRM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OS(=O)(=O)c1ccccc1	ZINC000409345153	556637550	/nfs/dbraw/zinc/63/75/50/556637550.db2.gz	KAYWAZDWMOZMPS-CSKARUKUSA-N	-1	0	445.409	2.743	40	5		IFBBRM
O=C([O-])[C@@H]1CS[C@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1	ZINC000408990031	556911129	/nfs/dbraw/zinc/91/11/29/556911129.db2.gz	JSCZCZHJASCGHL-SWLSCSKDSA-N	-1	0	430.471	2.510	40	5		IFBBRM
O=C(c1cnc2c(ccc3c(=O)c([N+](=O)[O-])c[n-]c32)c1)N1CCN(Cc2ccccc2)CC1	ZINC000095641938	557317864	/nfs/dbraw/zinc/31/78/64/557317864.db2.gz	HPDVDDAVQSIBPH-UHFFFAOYSA-N	-1	0	443.463	2.943	40	5		IFBBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)n1	ZINC000033608210	557417267	/nfs/dbraw/zinc/41/72/67/557417267.db2.gz	BOFMSHYSRYEMQN-UHFFFAOYSA-N	-1	0	427.442	2.675	40	5		IFBBRM
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000170591597	569140835	/nfs/dbraw/zinc/14/08/35/569140835.db2.gz	HRSWXPBHQXZLBK-KEYYUXOJSA-N	-1	0	441.387	2.569	40	5		IFBBRM
COc1c(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Br	ZINC000107582956	569250494	/nfs/dbraw/zinc/25/04/94/569250494.db2.gz	POQKCJXCCLPYOQ-NSCUHMNNSA-N	-1	0	447.039	2.675	40	5		IFBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1O	ZINC000020153353	569336199	/nfs/dbraw/zinc/33/61/99/569336199.db2.gz	KGZXIRBDERVAHL-UHFFFAOYSA-N	-1	0	430.442	2.726	40	5		IFBBRM
O=C([O-])c1ccc(CNC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1	ZINC000020153350	569336218	/nfs/dbraw/zinc/33/62/18/569336218.db2.gz	WAOAFJTYPNQEAQ-UHFFFAOYSA-N	-1	0	428.470	2.698	40	5		IFBBRM
CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000032194115	569460710	/nfs/dbraw/zinc/46/07/10/569460710.db2.gz	WBFBUFRGLTVWPW-ONNFQVAWSA-N	-1	0	431.220	2.662	40	5		IFBBRM