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@@](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649254	939092588	/nfs/dbraw/zinc/09/25/88/939092588.db2.gz	ARCKDZVIHHWSRM-VOCYLRNQSA-N	-1	0	419.231	3.487	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1	ZINC000531748038	939258967	/nfs/dbraw/zinc/25/89/67/939258967.db2.gz	AOMPKCGIQXZJBE-KRWDZBQOSA-N	-1	0	403.822	3.453	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)c(F)c1	ZINC000540668386	939289935	/nfs/dbraw/zinc/28/99/35/939289935.db2.gz	RBXXMNDTEIPXKH-MRXNPFEDSA-N	-1	0	418.768	3.129	20	5		HGBDRM
COc1ccc([C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Cl	ZINC000559469415	939313062	/nfs/dbraw/zinc/31/30/62/939313062.db2.gz	OFYGFJGDSRGBMI-QFYYESIMSA-N	-1	0	407.810	3.443	20	5		HGBDRM
C[C@](NC(=O)NCc1cccc(Br)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534257	939807235	/nfs/dbraw/zinc/80/72/35/939807235.db2.gz	JVEIRCUTEPPSQE-QGZVFWFLSA-N	-1	0	422.235	3.157	20	5		HGBDRM
C[C@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1	ZINC000617702961	939809036	/nfs/dbraw/zinc/80/90/36/939809036.db2.gz	GSSLDLLRJNPMET-QGZVFWFLSA-N	-1	0	407.220	3.016	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cc(F)ccc1F	ZINC000766952819	939076833	/nfs/dbraw/zinc/07/68/33/939076833.db2.gz	AXLMJHSHAAHESY-KRWDZBQOSA-N	-1	0	405.357	3.029	20	5		HGBDRM
C[C@](NC(=O)Nc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1	ZINC000788319734	939149476	/nfs/dbraw/zinc/14/94/76/939149476.db2.gz	WYKBRRSRDQDEGM-MRXNPFEDSA-N	-1	0	408.208	3.479	20	5		HGBDRM
COc1ccc([C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000431798770	939159786	/nfs/dbraw/zinc/15/97/86/939159786.db2.gz	RDSGVJNNCWQICL-INIZCTEOSA-N	-1	0	410.835	3.291	20	5		HGBDRM
CCO[C@H]1C[C@](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)(C(=O)[O-])C1(C)C	ZINC000439704581	939192115	/nfs/dbraw/zinc/19/21/15/939192115.db2.gz	KKKLZABWGQKILR-LIRRHRJNSA-N	-1	0	419.459	3.107	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(F)c1	ZINC000538465395	939272074	/nfs/dbraw/zinc/27/20/74/939272074.db2.gz	VYEJUZWKLFCHKE-QGZVFWFLSA-N	-1	0	405.769	3.284	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1	ZINC000577017091	939744026	/nfs/dbraw/zinc/74/40/26/939744026.db2.gz	PZWKWISGBVPSLJ-KPZWWZAWSA-N	-1	0	417.418	3.107	20	5		HGBDRM
C[C@@H]1CCc2nc(CN[C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1	ZINC000426735561	1126084686	/nfs/dbraw/zinc/08/46/86/1126084686.db2.gz	UJJAJGVTWNXTQV-DIFFPNOSSA-N	-1	0	414.487	3.443	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc(F)ccc1F	ZINC000761584479	939066874	/nfs/dbraw/zinc/06/68/74/939066874.db2.gz	KVYYWZPDEBFABW-OAQYLSRUSA-N	-1	0	422.387	3.375	20	5		HGBDRM
O=C([O-])C1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCCCC1	ZINC000762023962	939070650	/nfs/dbraw/zinc/07/06/50/939070650.db2.gz	DTBZRBKRDSHNAQ-UHFFFAOYSA-N	-1	0	403.204	3.404	20	5		HGBDRM
COc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776650087	939095327	/nfs/dbraw/zinc/09/53/27/939095327.db2.gz	WFDAHWQRMXODCD-KRWDZBQOSA-N	-1	0	423.219	3.096	20	5		HGBDRM
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1	ZINC000776653255	939100754	/nfs/dbraw/zinc/10/07/54/939100754.db2.gz	ZBYNICSGYPMMNB-QGZVFWFLSA-N	-1	0	407.220	3.396	20	5		HGBDRM
CCO[C@@H]1C[C@](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)(C(=O)[O-])C1(C)C	ZINC000439721066	939201638	/nfs/dbraw/zinc/20/16/38/939201638.db2.gz	RLZNBXBROJALQB-KUHUBIRLSA-N	-1	0	419.459	3.107	20	5		HGBDRM
CC[C@](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507316054	939235168	/nfs/dbraw/zinc/23/51/68/939235168.db2.gz	FXIVXGCSQLJVSB-GOSISDBHSA-N	-1	0	402.794	3.244	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1	ZINC000538504155	939276538	/nfs/dbraw/zinc/27/65/38/939276538.db2.gz	GOGBISFGUPMPRL-CYBMUJFWSA-N	-1	0	400.721	3.405	20	5		HGBDRM
COc1ccc([C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1	ZINC000554099421	939299155	/nfs/dbraw/zinc/29/91/55/939299155.db2.gz	JMYBFTVJQDSSGS-INIZCTEOSA-N	-1	0	413.411	3.283	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000568945254	939370911	/nfs/dbraw/zinc/37/09/11/939370911.db2.gz	JNEIWZWRKKPCHC-OAHLLOKOSA-N	-1	0	422.235	3.025	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F	ZINC000570763321	939386294	/nfs/dbraw/zinc/38/62/94/939386294.db2.gz	MQRJOJKSNCAREV-PIGZYNQJSA-N	-1	0	405.382	3.237	20	5		HGBDRM
C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000583181529	939789464	/nfs/dbraw/zinc/78/94/64/939789464.db2.gz	KKFNLESYQDZOGN-MEBBXXQBSA-N	-1	0	409.345	3.382	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc2ccccc2c1	ZINC000431861458	939163566	/nfs/dbraw/zinc/16/35/66/939163566.db2.gz	LUJXMAUWKLWOKV-HXUWFJFHSA-N	-1	0	416.393	3.489	20	5		HGBDRM
CC(C)CCSc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000432135207	939184193	/nfs/dbraw/zinc/18/41/93/939184193.db2.gz	YZFAQJRHBYUBNQ-WMLDXEAASA-N	-1	0	410.492	3.343	20	5		HGBDRM
CC(C)CCSc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000432135205	939184396	/nfs/dbraw/zinc/18/43/96/939184396.db2.gz	YZFAQJRHBYUBNQ-PBHICJAKSA-N	-1	0	410.492	3.343	20	5		HGBDRM
Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc([N+](=O)[O-])c1	ZINC000799244892	939212245	/nfs/dbraw/zinc/21/22/45/939212245.db2.gz	PCDBUPVQERDOBK-QGZVFWFLSA-N	-1	0	407.220	3.396	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC(F)F)cc1	ZINC000537413904	939271655	/nfs/dbraw/zinc/27/16/55/939271655.db2.gz	VEVNDMODPGHBCQ-OAHLLOKOSA-N	-1	0	405.313	3.233	20	5		HGBDRM
CC1CCN(c2ccc(C(=O)NC3(C(=O)[O-])Cc4ccccc4C3)cc2[N+](=O)[O-])CC1	ZINC000539605907	939285858	/nfs/dbraw/zinc/28/58/58/939285858.db2.gz	BNEKFKQOOBFSBG-UHFFFAOYSA-N	-1	0	423.469	3.183	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(OC(F)F)cc1	ZINC000540702518	939291915	/nfs/dbraw/zinc/29/19/15/939291915.db2.gz	LFVNHWXWWBHJCQ-HNNXBMFYSA-N	-1	0	405.313	3.233	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000565400780	939348730	/nfs/dbraw/zinc/34/87/30/939348730.db2.gz	REGYKQUHKRREKZ-OAHLLOKOSA-N	-1	0	422.235	3.025	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	ZINC000571723130	939393635	/nfs/dbraw/zinc/39/36/35/939393635.db2.gz	MFXBNVSJVOJLIZ-IBGZPJMESA-N	-1	0	409.398	3.252	20	5		HGBDRM
C[C@@](NC(=O)NCc1cccc(Br)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534256	939807397	/nfs/dbraw/zinc/80/73/97/939807397.db2.gz	JVEIRCUTEPPSQE-KRWDZBQOSA-N	-1	0	422.235	3.157	20	5		HGBDRM
O=C([O-])C1(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000238051961	939056518	/nfs/dbraw/zinc/05/65/18/939056518.db2.gz	FOMGDBMOMLGAIZ-UHFFFAOYSA-N	-1	0	420.425	3.114	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000431798771	939159923	/nfs/dbraw/zinc/15/99/23/939159923.db2.gz	RDSGVJNNCWQICL-MRXNPFEDSA-N	-1	0	410.835	3.291	20	5		HGBDRM
C[C@@](NC(=O)NCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000797706049	939163229	/nfs/dbraw/zinc/16/32/29/939163229.db2.gz	JBYSYYJLQHVFKU-KRWDZBQOSA-N	-1	0	422.235	3.157	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2ccccc2c1	ZINC000431863182	939163574	/nfs/dbraw/zinc/16/35/74/939163574.db2.gz	DFXQLHCLXANQJK-FQEVSTJZSA-N	-1	0	416.393	3.489	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2ccccc2c1	ZINC000431875065	939166483	/nfs/dbraw/zinc/16/64/83/939166483.db2.gz	IWKNWPXSYLOSOD-HXUWFJFHSA-N	-1	0	416.393	3.489	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1	ZINC000485207377	939220749	/nfs/dbraw/zinc/22/07/49/939220749.db2.gz	MEDXCADUOFRDBZ-HNNXBMFYSA-N	-1	0	418.203	3.394	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1	ZINC000485208647	939221018	/nfs/dbraw/zinc/22/10/18/939221018.db2.gz	DITLPJDMKCVKDL-HNNXBMFYSA-N	-1	0	418.203	3.394	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)C1CC1	ZINC000531748040	939259066	/nfs/dbraw/zinc/25/90/66/939259066.db2.gz	AOMPKCGIQXZJBE-QGZVFWFLSA-N	-1	0	403.822	3.453	20	5		HGBDRM
COc1ccc([C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Cl	ZINC000559469413	939312976	/nfs/dbraw/zinc/31/29/76/939312976.db2.gz	OFYGFJGDSRGBMI-HWPZZCPQSA-N	-1	0	407.810	3.443	20	5		HGBDRM
C[C@@](NC(=O)NCc1ccc(Br)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534342	939807724	/nfs/dbraw/zinc/80/77/24/939807724.db2.gz	YZOGKLUQQCQENC-KRWDZBQOSA-N	-1	0	422.235	3.157	20	5		HGBDRM
Cc1nn(Cc2ccc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2)c(C)c1[N+](=O)[O-]	ZINC000610847852	939808791	/nfs/dbraw/zinc/80/87/91/939808791.db2.gz	YZNHQHAZGBMSMF-JOCHJYFZSA-N	-1	0	422.441	3.186	20	5		HGBDRM
C[C@@H]1CCc2nc(CN[C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1	ZINC000426735563	1126084749	/nfs/dbraw/zinc/08/47/49/1126084749.db2.gz	UJJAJGVTWNXTQV-PIGZYNQJSA-N	-1	0	414.487	3.443	20	5		HGBDRM
C[C@@](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649251	939092870	/nfs/dbraw/zinc/09/28/70/939092870.db2.gz	ARCKDZVIHHWSRM-HKMNZKMDSA-N	-1	0	419.231	3.487	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1	ZINC000431794295	939158851	/nfs/dbraw/zinc/15/88/51/939158851.db2.gz	KGXLXYHLTBQGDE-OAHLLOKOSA-N	-1	0	414.748	3.334	20	5		HGBDRM
COc1ccc([C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(=O)[O-])cc1	ZINC000431800526	939159966	/nfs/dbraw/zinc/15/99/66/939159966.db2.gz	PBYZPTBNFFANPN-QFIPXVFZSA-N	-1	0	416.433	3.105	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1	ZINC000431876571	939167036	/nfs/dbraw/zinc/16/70/36/939167036.db2.gz	WMNMIRYSEZIPLQ-HXUWFJFHSA-N	-1	0	416.393	3.489	20	5		HGBDRM
CCO[C@@H]1C[C@@](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)(C(=O)[O-])C1(C)C	ZINC000439704578	939192056	/nfs/dbraw/zinc/19/20/56/939192056.db2.gz	KKKLZABWGQKILR-AUUYWEPGSA-N	-1	0	419.459	3.107	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)c(F)c1	ZINC000539570592	939282704	/nfs/dbraw/zinc/28/27/04/939282704.db2.gz	YNDPDOAWQLXNPA-QGZVFWFLSA-N	-1	0	405.769	3.353	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1	ZINC000539614974	939287212	/nfs/dbraw/zinc/28/72/12/939287212.db2.gz	DYEACXKUKWZWJD-ZDUSSCGKSA-N	-1	0	400.721	3.405	20	5		HGBDRM
COc1ccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1Br	ZINC000559432149	939312981	/nfs/dbraw/zinc/31/29/81/939312981.db2.gz	XHUDDXLRIHBADI-AWEZNQCLSA-N	-1	0	424.207	3.313	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Cl	ZINC000559469416	939313196	/nfs/dbraw/zinc/31/31/96/939313196.db2.gz	OFYGFJGDSRGBMI-QLJPJBMISA-N	-1	0	407.810	3.443	20	5		HGBDRM
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(C(=O)[O-])CCSCC3)cc2[N+](=O)[O-])C1	ZINC000561721174	939320334	/nfs/dbraw/zinc/32/03/34/939320334.db2.gz	HBOFJSQLOUQXMH-KBPBESRZSA-N	-1	0	421.519	3.157	20	5		HGBDRM
C[C@@](NC(=O)NCc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534214	939807433	/nfs/dbraw/zinc/80/74/33/939807433.db2.gz	BPFKVNGQKHURPV-KRWDZBQOSA-N	-1	0	411.336	3.413	20	5		HGBDRM
C[C@@](NC(=O)CCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776652514	939099700	/nfs/dbraw/zinc/09/97/00/939099700.db2.gz	VDQYNXKNSYUZCK-SFHVURJKSA-N	-1	0	421.247	3.406	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1F	ZINC000776666547	939103942	/nfs/dbraw/zinc/10/39/42/939103942.db2.gz	RZKRDAVZAFZQAH-ZDUSSCGKSA-N	-1	0	415.146	3.191	20	5		HGBDRM
O=C([O-])C1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)Cc2ccccc2C1	ZINC000532253401	939261664	/nfs/dbraw/zinc/26/16/64/939261664.db2.gz	AXDNMVVNKYHHIV-UHFFFAOYSA-N	-1	0	409.423	3.070	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC(F)F)cc1	ZINC000538503573	939275606	/nfs/dbraw/zinc/27/56/06/939275606.db2.gz	YAKHCATVOPXNLX-QGZVFWFLSA-N	-1	0	419.340	3.162	20	5		HGBDRM
CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	ZINC000539605950	939285871	/nfs/dbraw/zinc/28/58/71/939285871.db2.gz	DIVUAYONVCPMOW-OAHLLOKOSA-N	-1	0	410.329	3.151	20	5		HGBDRM
CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	ZINC000539612268	939286934	/nfs/dbraw/zinc/28/69/34/939286934.db2.gz	JHRYECSXFOFQRT-AWEZNQCLSA-N	-1	0	412.370	3.474	20	5		HGBDRM
C[C@](NC(=O)NCc1ccccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534283	939807342	/nfs/dbraw/zinc/80/73/42/939807342.db2.gz	ODIQJZPJJRVTID-QGZVFWFLSA-N	-1	0	422.235	3.157	20	5		HGBDRM
Cc1nn(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)c(C)c1[N+](=O)[O-]	ZINC000237639899	939047660	/nfs/dbraw/zinc/04/76/60/939047660.db2.gz	BPJCKBHSWJXWNX-SFHVURJKSA-N	-1	0	408.414	3.012	20	5		HGBDRM
COc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776650088	939095632	/nfs/dbraw/zinc/09/56/32/939095632.db2.gz	WFDAHWQRMXODCD-QGZVFWFLSA-N	-1	0	423.219	3.096	20	5		HGBDRM
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1	ZINC000776653044	939100611	/nfs/dbraw/zinc/10/06/11/939100611.db2.gz	YKTLRQFBOWEZMV-KRWDZBQOSA-N	-1	0	407.220	3.396	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1	ZINC000431876569	939166928	/nfs/dbraw/zinc/16/69/28/939166928.db2.gz	WMNMIRYSEZIPLQ-FQEVSTJZSA-N	-1	0	416.393	3.489	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc2ccccc2c1	ZINC000439921345	939203706	/nfs/dbraw/zinc/20/37/06/939203706.db2.gz	NZLXXRVZSDURDN-FQEVSTJZSA-N	-1	0	416.393	3.489	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000485202690	939219034	/nfs/dbraw/zinc/21/90/34/939219034.db2.gz	ATUBHSAXLJUWHC-INIZCTEOSA-N	-1	0	422.235	3.101	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(F)c1	ZINC000539570066	939282266	/nfs/dbraw/zinc/28/22/66/939282266.db2.gz	OMJXOICHSTXKGS-INIZCTEOSA-N	-1	0	418.768	3.129	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)c(F)c1	ZINC000539571047	939282600	/nfs/dbraw/zinc/28/26/00/939282600.db2.gz	XATZIQXAYVKYPO-INIZCTEOSA-N	-1	0	418.768	3.129	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1	ZINC000540705122	939294178	/nfs/dbraw/zinc/29/41/78/939294178.db2.gz	ZAXXNCUBOBPVBO-QGZVFWFLSA-N	-1	0	419.340	3.093	20	5		HGBDRM
Cc1nn(Cc2ccc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2)c(C)c1[N+](=O)[O-]	ZINC000610847853	939808712	/nfs/dbraw/zinc/80/87/12/939808712.db2.gz	YZNHQHAZGBMSMF-QFIPXVFZSA-N	-1	0	422.441	3.186	20	5		HGBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000746363622	939060048	/nfs/dbraw/zinc/06/00/48/939060048.db2.gz	CWSMYOMDBBTRCL-MRXNPFEDSA-N	-1	0	418.406	3.154	20	5		HGBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000746366699	939062503	/nfs/dbraw/zinc/06/25/03/939062503.db2.gz	KSBDZFDEXCKKMI-SFHVURJKSA-N	-1	0	412.377	3.092	20	5		HGBDRM
CCO[C@@H]1C[C@](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)(C(=O)[O-])C1(C)C	ZINC000439704580	939192097	/nfs/dbraw/zinc/19/20/97/939192097.db2.gz	KKKLZABWGQKILR-KUHUBIRLSA-N	-1	0	419.459	3.107	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1	ZINC000540701196	939290874	/nfs/dbraw/zinc/29/08/74/939290874.db2.gz	FWLJTYDODZWBHP-MRXNPFEDSA-N	-1	0	421.356	3.326	20	5		HGBDRM
CC[C@@](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000551942504	939296325	/nfs/dbraw/zinc/29/63/25/939296325.db2.gz	QWDMFPJQKWBDBF-IBGZPJMESA-N	-1	0	406.822	3.306	20	5		HGBDRM
COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1	ZINC000577017098	939743922	/nfs/dbraw/zinc/74/39/22/939743922.db2.gz	PZWKWISGBVPSLJ-SGTLLEGYSA-N	-1	0	417.418	3.107	20	5		HGBDRM
CC(C)Oc1cccc(CNC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1	ZINC000749104655	939064857	/nfs/dbraw/zinc/06/48/57/939064857.db2.gz	JKQHRXUBKBCUIB-FQEVSTJZSA-N	-1	0	401.419	3.181	20	5		HGBDRM
C[C@@](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)(C(=O)[O-])c1ccccc1	ZINC000766963991	939084713	/nfs/dbraw/zinc/08/47/13/939084713.db2.gz	XXPHFFBNWVACHO-INIZCTEOSA-N	-1	0	411.183	3.226	20	5		HGBDRM
COc1cc(OCC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)ccc1[N+](=O)[O-]	ZINC000431866031	939164404	/nfs/dbraw/zinc/16/44/04/939164404.db2.gz	DMPADBNPWNCINJ-FQEVSTJZSA-N	-1	0	410.382	3.078	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2ccccc2c1	ZINC000431875064	939166517	/nfs/dbraw/zinc/16/65/17/939166517.db2.gz	IWKNWPXSYLOSOD-FQEVSTJZSA-N	-1	0	416.393	3.489	20	5		HGBDRM
COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000514706261	939237676	/nfs/dbraw/zinc/23/76/76/939237676.db2.gz	ABRZBAONYUBPII-CQSZACIVSA-N	-1	0	424.207	3.313	20	5		HGBDRM
COc1cc(C(=O)NC2(C(=O)[O-])CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000538466991	939273049	/nfs/dbraw/zinc/27/30/49/939273049.db2.gz	XXMNCWQOHDSEJQ-UHFFFAOYSA-N	-1	0	406.778	3.396	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1	ZINC000539614973	939287362	/nfs/dbraw/zinc/28/73/62/939287362.db2.gz	DYEACXKUKWZWJD-CYBMUJFWSA-N	-1	0	400.721	3.405	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)F)cc1	ZINC000540705121	939294041	/nfs/dbraw/zinc/29/40/41/939294041.db2.gz	ZAXXNCUBOBPVBO-KRWDZBQOSA-N	-1	0	419.340	3.093	20	5		HGBDRM
CC[C@](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000551942505	939296375	/nfs/dbraw/zinc/29/63/75/939296375.db2.gz	QWDMFPJQKWBDBF-LJQANCHMSA-N	-1	0	406.822	3.306	20	5		HGBDRM
COc1ccc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c(OC)c1	ZINC000569887336	939378769	/nfs/dbraw/zinc/37/87/69/939378769.db2.gz	SKTHPXDKIZFDOR-HNNXBMFYSA-N	-1	0	409.782	3.213	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1	ZINC000577017096	939743946	/nfs/dbraw/zinc/74/39/46/939743946.db2.gz	PZWKWISGBVPSLJ-KZULUSFZSA-N	-1	0	417.418	3.107	20	5		HGBDRM
C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000583181527	939789486	/nfs/dbraw/zinc/78/94/86/939789486.db2.gz	KKFNLESYQDZOGN-BONVTDFDSA-N	-1	0	409.345	3.382	20	5		HGBDRM
COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	ZINC000583300660	939790249	/nfs/dbraw/zinc/79/02/49/939790249.db2.gz	DCGKTTOCVIRDLV-CQSZACIVSA-N	-1	0	411.317	3.152	20	5		HGBDRM
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000683310063	939870692	/nfs/dbraw/zinc/87/06/92/939870692.db2.gz	POPCZCXQALONGO-RUZDIDTESA-N	-1	0	412.445	3.197	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	ZINC000237988979	939053196	/nfs/dbraw/zinc/05/31/96/939053196.db2.gz	WYVALSLWQSUVLG-INIZCTEOSA-N	-1	0	411.336	3.358	20	5		HGBDRM
C[C@@](NC(=O)NCc1csc(-c2ccco2)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000749104708	939064890	/nfs/dbraw/zinc/06/48/90/939064890.db2.gz	KIXDCDTWAGLXPB-SFHVURJKSA-N	-1	0	416.415	3.111	20	5		HGBDRM
Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000776648910	939091279	/nfs/dbraw/zinc/09/12/79/939091279.db2.gz	GNYRIJWNOMHAMS-QGZVFWFLSA-N	-1	0	407.220	3.396	20	5		HGBDRM
Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776651220	939097668	/nfs/dbraw/zinc/09/76/68/939097668.db2.gz	JHQPCQYDIXEYLK-QGZVFWFLSA-N	-1	0	407.220	3.396	20	5		HGBDRM
CCC1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)(C(=O)[O-])CC1	ZINC000431784760	939156442	/nfs/dbraw/zinc/15/64/42/939156442.db2.gz	MGBCQVBHSTXGHQ-UHFFFAOYSA-N	-1	0	413.268	3.440	20	5		HGBDRM
CC[C@](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507317319	939235008	/nfs/dbraw/zinc/23/50/08/939235008.db2.gz	IPQOUUSOYUBQQN-LJQANCHMSA-N	-1	0	422.821	3.142	20	5		HGBDRM
C[C@H]1CCCN(c2ccc(C(=O)NC3(C(=O)[O-])Cc4ccccc4C3)cc2[N+](=O)[O-])C1	ZINC000532591943	939262991	/nfs/dbraw/zinc/26/29/91/939262991.db2.gz	UOXKJCDAVWTDRK-HNNXBMFYSA-N	-1	0	423.469	3.183	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1Cl	ZINC000570469385	939383843	/nfs/dbraw/zinc/38/38/43/939383843.db2.gz	ZDBAGEDYUNPWRH-OAHLLOKOSA-N	-1	0	409.782	3.213	20	5		HGBDRM
C[C@](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000683308276	939870350	/nfs/dbraw/zinc/87/03/50/939870350.db2.gz	OTXDVTCARBTGBF-XMMPIXPASA-N	-1	0	400.434	3.271	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc(F)ccc1F	ZINC000761584477	939066750	/nfs/dbraw/zinc/06/67/50/939066750.db2.gz	KVYYWZPDEBFABW-NRFANRHFSA-N	-1	0	422.387	3.375	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000766939826	939075275	/nfs/dbraw/zinc/07/52/75/939075275.db2.gz	ZLPJQPLTWTUGNK-FWRXFDSUSA-N	-1	0	405.204	3.313	20	5		HGBDRM
Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000776648909	939091302	/nfs/dbraw/zinc/09/13/02/939091302.db2.gz	GNYRIJWNOMHAMS-KRWDZBQOSA-N	-1	0	407.220	3.396	20	5		HGBDRM
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1	ZINC000776653254	939100580	/nfs/dbraw/zinc/10/05/80/939100580.db2.gz	ZBYNICSGYPMMNB-KRWDZBQOSA-N	-1	0	407.220	3.396	20	5		HGBDRM
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1	ZINC000776653048	939100835	/nfs/dbraw/zinc/10/08/35/939100835.db2.gz	YKTLRQFBOWEZMV-QGZVFWFLSA-N	-1	0	407.220	3.396	20	5		HGBDRM
Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc([N+](=O)[O-])c1	ZINC000799244891	939212239	/nfs/dbraw/zinc/21/22/39/939212239.db2.gz	PCDBUPVQERDOBK-KRWDZBQOSA-N	-1	0	407.220	3.396	20	5		HGBDRM
CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000485210218	939221457	/nfs/dbraw/zinc/22/14/57/939221457.db2.gz	QHLUKOIEKUMKGP-OAHLLOKOSA-N	-1	0	407.220	3.475	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1	ZINC000538504156	939276563	/nfs/dbraw/zinc/27/65/63/939276563.db2.gz	GOGBISFGUPMPRL-ZDUSSCGKSA-N	-1	0	400.721	3.405	20	5		HGBDRM
C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000583181531	939789409	/nfs/dbraw/zinc/78/94/09/939789409.db2.gz	KKFNLESYQDZOGN-ZUZCIYMTSA-N	-1	0	409.345	3.382	20	5		HGBDRM
O=C([O-])[C@@]1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCc2ccccc21	ZINC000610846142	939808141	/nfs/dbraw/zinc/80/81/41/939808141.db2.gz	MLXXCHBWDSHEOG-HXUWFJFHSA-N	-1	0	409.423	3.374	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000766939644	939075371	/nfs/dbraw/zinc/07/53/71/939075371.db2.gz	ZLPJQPLTWTUGNK-BPAYBPMLSA-N	-1	0	405.204	3.313	20	5		HGBDRM
C[C@](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649252	939092801	/nfs/dbraw/zinc/09/28/01/939092801.db2.gz	ARCKDZVIHHWSRM-IEODJVTJSA-N	-1	0	419.231	3.487	20	5		HGBDRM
CCO[C@H]1C[C@@](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)(C(=O)[O-])C1(C)C	ZINC000439721064	939201670	/nfs/dbraw/zinc/20/16/70/939201670.db2.gz	RLZNBXBROJALQB-IFXJQAMLSA-N	-1	0	419.459	3.107	20	5		HGBDRM
CC[C@@](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507317318	939234975	/nfs/dbraw/zinc/23/49/75/939234975.db2.gz	IPQOUUSOYUBQQN-IBGZPJMESA-N	-1	0	422.821	3.142	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C(=O)[O-])cc1	ZINC000558000164	939310184	/nfs/dbraw/zinc/31/01/84/939310184.db2.gz	HEVZAGCTGXNERC-MRXNPFEDSA-N	-1	0	413.411	3.283	20	5		HGBDRM
Cc1c(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cccc1[N+](=O)[O-]	ZINC000776649023	939091718	/nfs/dbraw/zinc/09/17/18/939091718.db2.gz	KSQRQIZLTINECC-KRWDZBQOSA-N	-1	0	407.220	3.396	20	5		HGBDRM
CCO[C@@H]1C[C@@](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439710097	939195535	/nfs/dbraw/zinc/19/55/35/939195535.db2.gz	XKGWWJWMOPWREE-CXAGYDPISA-N	-1	0	416.883	3.115	20	5		HGBDRM
C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC3(C(=O)[O-])CCSCC3)cc2[N+](=O)[O-])C1	ZINC000561721175	939320294	/nfs/dbraw/zinc/32/02/94/939320294.db2.gz	HBOFJSQLOUQXMH-OKILXGFUSA-N	-1	0	421.519	3.157	20	5		HGBDRM
C[C@@](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)(C(=O)[O-])c1ccccc1	ZINC000683308274	939870392	/nfs/dbraw/zinc/87/03/92/939870392.db2.gz	OTXDVTCARBTGBF-DEOSSOPVSA-N	-1	0	400.434	3.271	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1ccccc1F	ZINC000776666546	939103998	/nfs/dbraw/zinc/10/39/98/939103998.db2.gz	RZKRDAVZAFZQAH-CYBMUJFWSA-N	-1	0	415.146	3.191	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1	ZINC000431794294	939158875	/nfs/dbraw/zinc/15/88/75/939158875.db2.gz	KGXLXYHLTBQGDE-HNNXBMFYSA-N	-1	0	414.748	3.334	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(F)c1	ZINC000538465394	939272319	/nfs/dbraw/zinc/27/23/19/939272319.db2.gz	VYEJUZWKLFCHKE-KRWDZBQOSA-N	-1	0	405.769	3.284	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC(F)F)cc1	ZINC000538503572	939275608	/nfs/dbraw/zinc/27/56/08/939275608.db2.gz	YAKHCATVOPXNLX-KRWDZBQOSA-N	-1	0	419.340	3.162	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)c(F)c1	ZINC000539570068	939282245	/nfs/dbraw/zinc/28/22/45/939282245.db2.gz	OMJXOICHSTXKGS-MRXNPFEDSA-N	-1	0	418.768	3.129	20	5		HGBDRM
O=C([O-])C1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCSCC1	ZINC000554084645	939298762	/nfs/dbraw/zinc/29/87/62/939298762.db2.gz	KOAJSSWTQHFQHI-UHFFFAOYSA-N	-1	0	401.444	3.419	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F	ZINC000570763316	939386162	/nfs/dbraw/zinc/38/61/62/939386162.db2.gz	MQRJOJKSNCAREV-APPDUMDISA-N	-1	0	405.382	3.237	20	5		HGBDRM
O=C([O-])[C@@]1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCc2ccccc21	ZINC000617708280	939809566	/nfs/dbraw/zinc/80/95/66/939809566.db2.gz	URSCZWIBEYHWFA-GOSISDBHSA-N	-1	0	406.847	3.383	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cc(F)ccc1F	ZINC000766952824	939076740	/nfs/dbraw/zinc/07/67/40/939076740.db2.gz	AXLMJHSHAAHESY-QGZVFWFLSA-N	-1	0	405.357	3.029	20	5		HGBDRM
C[C@](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)(C(=O)[O-])c1ccccc1	ZINC000766963992	939084563	/nfs/dbraw/zinc/08/45/63/939084563.db2.gz	XXPHFFBNWVACHO-MRXNPFEDSA-N	-1	0	411.183	3.226	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Cl)c(F)c1	ZINC000439909944	939202994	/nfs/dbraw/zinc/20/29/94/939202994.db2.gz	ATYPOVYPXJGALF-MRXNPFEDSA-N	-1	0	418.768	3.129	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Br)cc1	ZINC000485208652	939220998	/nfs/dbraw/zinc/22/09/98/939220998.db2.gz	DITLPJDMKCVKDL-OAHLLOKOSA-N	-1	0	418.203	3.394	20	5		HGBDRM
CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	ZINC000539605949	939285828	/nfs/dbraw/zinc/28/58/28/939285828.db2.gz	DIVUAYONVCPMOW-HNNXBMFYSA-N	-1	0	410.329	3.151	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(OC(F)F)cc1	ZINC000540702524	939291691	/nfs/dbraw/zinc/29/16/91/939291691.db2.gz	LFVNHWXWWBHJCQ-OAHLLOKOSA-N	-1	0	405.313	3.233	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000540704706	939293443	/nfs/dbraw/zinc/29/34/43/939293443.db2.gz	JABMCJGPPSBEFS-MRXNPFEDSA-N	-1	0	407.220	3.232	20	5		HGBDRM
COc1ccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Br	ZINC000581585371	939779360	/nfs/dbraw/zinc/77/93/60/939779360.db2.gz	QAOLKMGLUSHWLP-AWEZNQCLSA-N	-1	0	424.207	3.313	20	5		HGBDRM
COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	ZINC000583300659	939790174	/nfs/dbraw/zinc/79/01/74/939790174.db2.gz	DCGKTTOCVIRDLV-AWEZNQCLSA-N	-1	0	411.317	3.152	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1F	ZINC000611463885	939808742	/nfs/dbraw/zinc/80/87/42/939808742.db2.gz	BUKAACXZTAZEAX-OAHLLOKOSA-N	-1	0	401.375	3.413	20	5		HGBDRM
C[C@@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1	ZINC000617702960	939809283	/nfs/dbraw/zinc/80/92/83/939809283.db2.gz	GSSLDLLRJNPMET-KRWDZBQOSA-N	-1	0	407.220	3.016	20	5		HGBDRM
CCO[C@@H]1C[C@@](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)(C(=O)[O-])C1(C)C	ZINC000439721062	939201531	/nfs/dbraw/zinc/20/15/31/939201531.db2.gz	RLZNBXBROJALQB-AUUYWEPGSA-N	-1	0	419.459	3.107	20	5		HGBDRM
CC[C@](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1	ZINC000485372486	939227859	/nfs/dbraw/zinc/22/78/59/939227859.db2.gz	SCXAZGOYFXXPRP-HXUWFJFHSA-N	-1	0	418.471	3.343	20	5		HGBDRM
C[C@@H]1CCCN(c2ccc(C(=O)NC3(C(=O)[O-])Cc4ccccc4C3)cc2[N+](=O)[O-])C1	ZINC000532591944	939263026	/nfs/dbraw/zinc/26/30/26/939263026.db2.gz	UOXKJCDAVWTDRK-OAHLLOKOSA-N	-1	0	423.469	3.183	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Cl	ZINC000559469414	939313104	/nfs/dbraw/zinc/31/31/04/939313104.db2.gz	OFYGFJGDSRGBMI-MGPLVRAMSA-N	-1	0	407.810	3.443	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1	ZINC000571598025	939392770	/nfs/dbraw/zinc/39/27/70/939392770.db2.gz	SEGNSUIJVJQCER-ZDUSSCGKSA-N	-1	0	412.171	3.444	20	5		HGBDRM
C[C@](NC(=O)NCc1cccc(C(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534255	939807245	/nfs/dbraw/zinc/80/72/45/939807245.db2.gz	JRUUZIJWISOFSV-QGZVFWFLSA-N	-1	0	411.336	3.413	20	5		HGBDRM
O=C([O-])[C@]1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CCc2ccccc21	ZINC000610846141	939807961	/nfs/dbraw/zinc/80/79/61/939807961.db2.gz	MLXXCHBWDSHEOG-FQEVSTJZSA-N	-1	0	409.423	3.374	20	5		HGBDRM
O=C([O-])[C@]1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCc2ccccc21	ZINC000617708281	939809452	/nfs/dbraw/zinc/80/94/52/939809452.db2.gz	URSCZWIBEYHWFA-SFHVURJKSA-N	-1	0	406.847	3.383	20	5		HGBDRM
O=C([O-])[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCc2ccccc21	ZINC000767004018	939085840	/nfs/dbraw/zinc/08/58/40/939085840.db2.gz	VSEDGZFIAGODJH-QGZVFWFLSA-N	-1	0	423.194	3.153	20	5		HGBDRM
COc1cc(OCC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)ccc1[N+](=O)[O-]	ZINC000431866033	939164273	/nfs/dbraw/zinc/16/42/73/939164273.db2.gz	DMPADBNPWNCINJ-HXUWFJFHSA-N	-1	0	410.382	3.078	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000797718639	939180228	/nfs/dbraw/zinc/18/02/28/939180228.db2.gz	HAUCCGVHVSTGNF-LJQANCHMSA-N	-1	0	409.398	3.252	20	5		HGBDRM
O=C([O-])C1(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)Cc2ccccc2C1	ZINC000531998708	939259595	/nfs/dbraw/zinc/25/95/95/939259595.db2.gz	DYZZITIBOJEMGP-UHFFFAOYSA-N	-1	0	409.423	3.070	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000766939828	939075456	/nfs/dbraw/zinc/07/54/56/939075456.db2.gz	ZLPJQPLTWTUGNK-ZAFLOJKISA-N	-1	0	405.204	3.313	20	5		HGBDRM
C[C@](NC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000788315587	939148410	/nfs/dbraw/zinc/14/84/10/939148410.db2.gz	WPHRVBFSCSARDT-MRXNPFEDSA-N	-1	0	408.208	3.479	20	5		HGBDRM
CC(C)CCSc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000432135206	939184212	/nfs/dbraw/zinc/18/42/12/939184212.db2.gz	YZFAQJRHBYUBNQ-RHSMWYFYSA-N	-1	0	410.492	3.343	20	5		HGBDRM
O=C([O-])C1(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCSCC1	ZINC000553755382	939296974	/nfs/dbraw/zinc/29/69/74/939296974.db2.gz	KHXQOTGRSSSMAZ-UHFFFAOYSA-N	-1	0	415.471	3.287	20	5		HGBDRM
O=C([O-])C1(NC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CCCC1	ZINC000555624382	939300879	/nfs/dbraw/zinc/30/08/79/939300879.db2.gz	PQYVMBSDCKBZSO-UHFFFAOYSA-N	-1	0	413.217	3.215	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000565400777	939348929	/nfs/dbraw/zinc/34/89/29/939348929.db2.gz	REGYKQUHKRREKZ-HNNXBMFYSA-N	-1	0	422.235	3.025	20	5		HGBDRM
O=C([O-])[C@@]1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCc2ccccc21	ZINC000610845932	939807573	/nfs/dbraw/zinc/80/75/73/939807573.db2.gz	HMMPKFGKCYIOIP-HXUWFJFHSA-N	-1	0	409.423	3.374	20	5		HGBDRM
C[C@](NC(=O)NCc1cc(-c2ccccc2)on1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000749103799	939064655	/nfs/dbraw/zinc/06/46/55/939064655.db2.gz	DANBYCMKBCUSLN-HXUWFJFHSA-N	-1	0	410.386	3.049	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(F)c1	ZINC000539568253	939281218	/nfs/dbraw/zinc/28/12/18/939281218.db2.gz	AWQRJUUPGGLUCD-MRXNPFEDSA-N	-1	0	419.752	3.197	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)c(F)c1	ZINC000540668377	939289921	/nfs/dbraw/zinc/28/99/21/939289921.db2.gz	RBXXMNDTEIPXKH-INIZCTEOSA-N	-1	0	418.768	3.129	20	5		HGBDRM
CC(C)Oc1cccc(CNC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1	ZINC000749104657	939064987	/nfs/dbraw/zinc/06/49/87/939064987.db2.gz	JKQHRXUBKBCUIB-HXUWFJFHSA-N	-1	0	401.419	3.181	20	5		HGBDRM
C[C@](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776649253	939092915	/nfs/dbraw/zinc/09/29/15/939092915.db2.gz	ARCKDZVIHHWSRM-RUJXFNLJSA-N	-1	0	419.231	3.487	20	5		HGBDRM
C[C@](NC(=O)CCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776652511	939099578	/nfs/dbraw/zinc/09/95/78/939099578.db2.gz	VDQYNXKNSYUZCK-GOSISDBHSA-N	-1	0	421.247	3.406	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C(=O)[O-])cc1	ZINC000431800525	939159913	/nfs/dbraw/zinc/15/99/13/939159913.db2.gz	PBYZPTBNFFANPN-JOCHJYFZSA-N	-1	0	416.433	3.105	20	5		HGBDRM
CCO[C@H]1C[C@@](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)(C(=O)[O-])C1(C)C	ZINC000439704579	939192094	/nfs/dbraw/zinc/19/20/94/939192094.db2.gz	KKKLZABWGQKILR-IFXJQAMLSA-N	-1	0	419.459	3.107	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1Br	ZINC000581585372	939779269	/nfs/dbraw/zinc/77/92/69/939779269.db2.gz	QAOLKMGLUSHWLP-CQSZACIVSA-N	-1	0	424.207	3.313	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1F	ZINC000611463884	939808824	/nfs/dbraw/zinc/80/88/24/939808824.db2.gz	BUKAACXZTAZEAX-HNNXBMFYSA-N	-1	0	401.375	3.413	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1F	ZINC000611464053	939809146	/nfs/dbraw/zinc/80/91/46/939809146.db2.gz	UOOJWDPEYJITTG-OAHLLOKOSA-N	-1	0	401.375	3.413	20	5		HGBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000746366697	939062147	/nfs/dbraw/zinc/06/21/47/939062147.db2.gz	KSBDZFDEXCKKMI-GOSISDBHSA-N	-1	0	412.377	3.092	20	5		HGBDRM
CNc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776652036	939098820	/nfs/dbraw/zinc/09/88/20/939098820.db2.gz	PIKOVDGHVBHOEH-QGZVFWFLSA-N	-1	0	422.235	3.129	20	5		HGBDRM
CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000485205315	939219987	/nfs/dbraw/zinc/21/99/87/939219987.db2.gz	BTKWUNXWTWLTAK-OAHLLOKOSA-N	-1	0	423.219	3.312	20	5		HGBDRM
CC[C@@](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000507316055	939235040	/nfs/dbraw/zinc/23/50/40/939235040.db2.gz	FXIVXGCSQLJVSB-SFHVURJKSA-N	-1	0	402.794	3.244	20	5		HGBDRM
C[C@@](NC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776650591	939096502	/nfs/dbraw/zinc/09/65/02/939096502.db2.gz	BWCJXJIZCCJFSY-KRWDZBQOSA-N	-1	0	407.220	3.016	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc(Cl)c(F)c1	ZINC000439909943	939203230	/nfs/dbraw/zinc/20/32/30/939203230.db2.gz	ATYPOVYPXJGALF-INIZCTEOSA-N	-1	0	418.768	3.129	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc2ccccc2c1	ZINC000439921346	939203429	/nfs/dbraw/zinc/20/34/29/939203429.db2.gz	NZLXXRVZSDURDN-HXUWFJFHSA-N	-1	0	416.393	3.489	20	5		HGBDRM
CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000485205313	939219834	/nfs/dbraw/zinc/21/98/34/939219834.db2.gz	BTKWUNXWTWLTAK-HNNXBMFYSA-N	-1	0	423.219	3.312	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1	ZINC000540701192	939290913	/nfs/dbraw/zinc/29/09/13/939290913.db2.gz	FWLJTYDODZWBHP-INIZCTEOSA-N	-1	0	421.356	3.326	20	5		HGBDRM
COc1ccc([C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C(=O)[O-])cc1	ZINC000558000163	939310080	/nfs/dbraw/zinc/31/00/80/939310080.db2.gz	HEVZAGCTGXNERC-INIZCTEOSA-N	-1	0	413.411	3.283	20	5		HGBDRM
COc1ccc([C@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])cc1Cl	ZINC000570469384	939383818	/nfs/dbraw/zinc/38/38/18/939383818.db2.gz	ZDBAGEDYUNPWRH-HNNXBMFYSA-N	-1	0	409.782	3.213	20	5		HGBDRM
C[C@](NC(=O)NCc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534215	939807192	/nfs/dbraw/zinc/80/71/92/939807192.db2.gz	BPFKVNGQKHURPV-QGZVFWFLSA-N	-1	0	411.336	3.413	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1F	ZINC000611464052	939809158	/nfs/dbraw/zinc/80/91/58/939809158.db2.gz	UOOJWDPEYJITTG-HNNXBMFYSA-N	-1	0	401.375	3.413	20	5		HGBDRM
Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776651219	939097351	/nfs/dbraw/zinc/09/73/51/939097351.db2.gz	JHQPCQYDIXEYLK-KRWDZBQOSA-N	-1	0	407.220	3.396	20	5		HGBDRM
CCO[C@H]1C[C@](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439710101	939195424	/nfs/dbraw/zinc/19/54/24/939195424.db2.gz	XKGWWJWMOPWREE-GUYCJALGSA-N	-1	0	416.883	3.115	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(OC(F)F)cc1	ZINC000537413903	939271664	/nfs/dbraw/zinc/27/16/64/939271664.db2.gz	VEVNDMODPGHBCQ-HNNXBMFYSA-N	-1	0	405.313	3.233	20	5		HGBDRM
O=C([O-])[C@@]1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1	ZINC000540671751	939290297	/nfs/dbraw/zinc/29/02/97/939290297.db2.gz	GCCMNLUYQRQUOG-GOSISDBHSA-N	-1	0	406.778	3.014	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1	ZINC000554099422	939299314	/nfs/dbraw/zinc/29/93/14/939299314.db2.gz	JMYBFTVJQDSSGS-MRXNPFEDSA-N	-1	0	413.411	3.283	20	5		HGBDRM
C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC3(C(=O)[O-])CCSCC3)cc2[N+](=O)[O-])C1	ZINC000561721176	939320065	/nfs/dbraw/zinc/32/00/65/939320065.db2.gz	HBOFJSQLOUQXMH-ZIAGYGMSSA-N	-1	0	421.519	3.157	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000568349997	939367075	/nfs/dbraw/zinc/36/70/75/939367075.db2.gz	FOFPYUKDQVVQOP-OAHLLOKOSA-N	-1	0	422.235	3.025	20	5		HGBDRM
C[C@@](NC(=O)NCc1cccc(C(F)(F)F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534254	939807182	/nfs/dbraw/zinc/80/71/82/939807182.db2.gz	JRUUZIJWISOFSV-KRWDZBQOSA-N	-1	0	411.336	3.413	20	5		HGBDRM
O=C([O-])[C@]1(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCc2ccccc21	ZINC000610845931	939807655	/nfs/dbraw/zinc/80/76/55/939807655.db2.gz	HMMPKFGKCYIOIP-FQEVSTJZSA-N	-1	0	409.423	3.374	20	5		HGBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000746361379	939059714	/nfs/dbraw/zinc/05/97/14/939059714.db2.gz	FTNMWMXDSZAGMW-SFHVURJKSA-N	-1	0	412.377	3.092	20	5		HGBDRM
C[C@](NC(=O)NCc1csc(-c2ccco2)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000749104707	939065023	/nfs/dbraw/zinc/06/50/23/939065023.db2.gz	KIXDCDTWAGLXPB-GOSISDBHSA-N	-1	0	416.415	3.111	20	5		HGBDRM
Cc1c(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cccc1[N+](=O)[O-]	ZINC000776649024	939091577	/nfs/dbraw/zinc/09/15/77/939091577.db2.gz	KSQRQIZLTINECC-QGZVFWFLSA-N	-1	0	407.220	3.396	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2ccccc2c1	ZINC000431863184	939163759	/nfs/dbraw/zinc/16/37/59/939163759.db2.gz	DFXQLHCLXANQJK-HXUWFJFHSA-N	-1	0	416.393	3.489	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc2ccccc2c1	ZINC000431861457	939163782	/nfs/dbraw/zinc/16/37/82/939163782.db2.gz	LUJXMAUWKLWOKV-FQEVSTJZSA-N	-1	0	416.393	3.489	20	5		HGBDRM
CCO[C@@H]1C[C@](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439710099	939195538	/nfs/dbraw/zinc/19/55/38/939195538.db2.gz	XKGWWJWMOPWREE-DYVFJYSZSA-N	-1	0	416.883	3.115	20	5		HGBDRM
O=C([O-])[C@]1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOC1	ZINC000540671752	939290395	/nfs/dbraw/zinc/29/03/95/939290395.db2.gz	GCCMNLUYQRQUOG-SFHVURJKSA-N	-1	0	406.778	3.014	20	5		HGBDRM
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000683310064	939870687	/nfs/dbraw/zinc/87/06/87/939870687.db2.gz	POPCZCXQALONGO-VWLOTQADSA-N	-1	0	412.445	3.197	20	5		HGBDRM
C[C@@](NC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000788315585	939148425	/nfs/dbraw/zinc/14/84/25/939148425.db2.gz	WPHRVBFSCSARDT-INIZCTEOSA-N	-1	0	408.208	3.479	20	5		HGBDRM
C[C@@](NC(=O)Nc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1	ZINC000788319732	939149492	/nfs/dbraw/zinc/14/94/92/939149492.db2.gz	WYKBRRSRDQDEGM-INIZCTEOSA-N	-1	0	408.208	3.479	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21	ZINC000797718638	939180130	/nfs/dbraw/zinc/18/01/30/939180130.db2.gz	HAUCCGVHVSTGNF-IBGZPJMESA-N	-1	0	409.398	3.252	20	5		HGBDRM
CC[C@@](NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1	ZINC000485372485	939227870	/nfs/dbraw/zinc/22/78/70/939227870.db2.gz	SCXAZGOYFXXPRP-FQEVSTJZSA-N	-1	0	418.471	3.343	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1	ZINC000538466454	939272682	/nfs/dbraw/zinc/27/26/82/939272682.db2.gz	JNRUCOHMHBCPCT-MRXNPFEDSA-N	-1	0	418.768	3.129	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000568349996	939367036	/nfs/dbraw/zinc/36/70/36/939367036.db2.gz	FOFPYUKDQVVQOP-HNNXBMFYSA-N	-1	0	422.235	3.025	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c(OC)c1	ZINC000569887337	939379034	/nfs/dbraw/zinc/37/90/34/939379034.db2.gz	SKTHPXDKIZFDOR-OAHLLOKOSA-N	-1	0	409.782	3.213	20	5		HGBDRM
COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F	ZINC000570763320	939386151	/nfs/dbraw/zinc/38/61/51/939386151.db2.gz	MQRJOJKSNCAREV-GTNSWQLSSA-N	-1	0	405.382	3.237	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	ZINC000571723131	939393799	/nfs/dbraw/zinc/39/37/99/939393799.db2.gz	MFXBNVSJVOJLIZ-LJQANCHMSA-N	-1	0	409.398	3.252	20	5		HGBDRM
CC[C@@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1	ZINC000431451490	939152031	/nfs/dbraw/zinc/15/20/31/939152031.db2.gz	JDSZPPDIHNRFOE-SFHVURJKSA-N	-1	0	421.247	3.406	20	5		HGBDRM
CC[C@](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)(C(=O)[O-])c1ccccc1	ZINC000431451489	939152211	/nfs/dbraw/zinc/15/22/11/939152211.db2.gz	JDSZPPDIHNRFOE-GOSISDBHSA-N	-1	0	421.247	3.406	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)c(F)c1	ZINC000539570588	939282618	/nfs/dbraw/zinc/28/26/18/939282618.db2.gz	YNDPDOAWQLXNPA-KRWDZBQOSA-N	-1	0	405.769	3.353	20	5		HGBDRM
CSc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-]	ZINC000539612269	939286672	/nfs/dbraw/zinc/28/66/72/939286672.db2.gz	JHRYECSXFOFQRT-CQSZACIVSA-N	-1	0	412.370	3.474	20	5		HGBDRM
COc1ccc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1Br	ZINC000559432153	939313059	/nfs/dbraw/zinc/31/30/59/939313059.db2.gz	XHUDDXLRIHBADI-CQSZACIVSA-N	-1	0	424.207	3.313	20	5		HGBDRM
C[C@@](NC(=O)NCCOc1ccc2ccccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534218	939807334	/nfs/dbraw/zinc/80/73/34/939807334.db2.gz	BQVMGZRRXLOKPH-QFIPXVFZSA-N	-1	0	423.425	3.426	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1F	ZINC000683317817	939870844	/nfs/dbraw/zinc/87/08/44/939870844.db2.gz	BHYCRRVQPVMKOX-NRFANRHFSA-N	-1	0	404.397	3.236	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1F	ZINC000683317818	939870856	/nfs/dbraw/zinc/87/08/56/939870856.db2.gz	BHYCRRVQPVMKOX-OAQYLSRUSA-N	-1	0	404.397	3.236	20	5		HGBDRM
CCO[C@H]1C[C@@](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C	ZINC000439710103	939195409	/nfs/dbraw/zinc/19/54/09/939195409.db2.gz	XKGWWJWMOPWREE-SUMWQHHRSA-N	-1	0	416.883	3.115	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1	ZINC000485207389	939220810	/nfs/dbraw/zinc/22/08/10/939220810.db2.gz	MEDXCADUOFRDBZ-OAHLLOKOSA-N	-1	0	418.203	3.394	20	5		HGBDRM
CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000485210216	939221559	/nfs/dbraw/zinc/22/15/59/939221559.db2.gz	QHLUKOIEKUMKGP-HNNXBMFYSA-N	-1	0	407.220	3.475	20	5		HGBDRM
C[C@@](NC(=O)NCc1ccccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534282	939807239	/nfs/dbraw/zinc/80/72/39/939807239.db2.gz	ODIQJZPJJRVTID-KRWDZBQOSA-N	-1	0	422.235	3.157	20	5		HGBDRM
C[C@](NC(=O)NCc1ccc(Br)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534343	939807704	/nfs/dbraw/zinc/80/77/04/939807704.db2.gz	YZOGKLUQQCQENC-QGZVFWFLSA-N	-1	0	422.235	3.157	20	5		HGBDRM
Cc1nn(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)c(C)c1[N+](=O)[O-]	ZINC000237638445	939047872	/nfs/dbraw/zinc/04/78/72/939047872.db2.gz	BPJCKBHSWJXWNX-GOSISDBHSA-N	-1	0	408.414	3.012	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	ZINC000238012292	939054604	/nfs/dbraw/zinc/05/46/04/939054604.db2.gz	WYVALSLWQSUVLG-MRXNPFEDSA-N	-1	0	411.336	3.358	20	5		HGBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000746363620	939059971	/nfs/dbraw/zinc/05/99/71/939059971.db2.gz	CWSMYOMDBBTRCL-INIZCTEOSA-N	-1	0	418.406	3.154	20	5		HGBDRM
COc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000776648836	939091073	/nfs/dbraw/zinc/09/10/73/939091073.db2.gz	DDZVKJZHCBEZDN-QGZVFWFLSA-N	-1	0	423.219	3.096	20	5		HGBDRM
COc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1[N+](=O)[O-]	ZINC000776648835	939091227	/nfs/dbraw/zinc/09/12/27/939091227.db2.gz	DDZVKJZHCBEZDN-KRWDZBQOSA-N	-1	0	423.219	3.096	20	5		HGBDRM
C[C@](NC(=O)NCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000797706050	939163093	/nfs/dbraw/zinc/16/30/93/939163093.db2.gz	JBYSYYJLQHVFKU-QGZVFWFLSA-N	-1	0	422.235	3.157	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000540704705	939293513	/nfs/dbraw/zinc/29/35/13/939293513.db2.gz	JABMCJGPPSBEFS-INIZCTEOSA-N	-1	0	407.220	3.232	20	5		HGBDRM
COc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])cc1F	ZINC000570763318	939386384	/nfs/dbraw/zinc/38/63/84/939386384.db2.gz	MQRJOJKSNCAREV-DIFFPNOSSA-N	-1	0	405.382	3.237	20	5		HGBDRM
C[C@@](NC(=O)NCc1cc(-c2ccccc2)on1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000749103797	939064673	/nfs/dbraw/zinc/06/46/73/939064673.db2.gz	DANBYCMKBCUSLN-FQEVSTJZSA-N	-1	0	410.386	3.049	20	5		HGBDRM
O=C([O-])[C@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCc2ccccc21	ZINC000767004016	939085649	/nfs/dbraw/zinc/08/56/49/939085649.db2.gz	VSEDGZFIAGODJH-KRWDZBQOSA-N	-1	0	423.194	3.153	20	5		HGBDRM
CC(C)CCSc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1[N+](=O)[O-]	ZINC000432135208	939184406	/nfs/dbraw/zinc/18/44/06/939184406.db2.gz	YZFAQJRHBYUBNQ-YOEHRIQHSA-N	-1	0	410.492	3.343	20	5		HGBDRM
COc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1	ZINC000577017100	939743992	/nfs/dbraw/zinc/74/39/92/939743992.db2.gz	PZWKWISGBVPSLJ-XIKOKIGWSA-N	-1	0	417.418	3.107	20	5		HGBDRM
C[C@H]1CCc2nc(CN[C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1	ZINC000426735562	1126084664	/nfs/dbraw/zinc/08/46/64/1126084664.db2.gz	UJJAJGVTWNXTQV-GTNSWQLSSA-N	-1	0	414.487	3.443	20	5		HGBDRM
C[C@H]1CCc2nc(CN[C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1	ZINC000426735560	1126084738	/nfs/dbraw/zinc/08/47/38/1126084738.db2.gz	UJJAJGVTWNXTQV-APPDUMDISA-N	-1	0	414.487	3.443	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	ZINC000766939827	939075409	/nfs/dbraw/zinc/07/54/09/939075409.db2.gz	ZLPJQPLTWTUGNK-VSRBDQBUSA-N	-1	0	405.204	3.313	20	5		HGBDRM
C[C@](NC(=O)Cc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1	ZINC000776650594	939096349	/nfs/dbraw/zinc/09/63/49/939096349.db2.gz	BWCJXJIZCCJFSY-QGZVFWFLSA-N	-1	0	407.220	3.016	20	5		HGBDRM
CCO[C@H]1C[C@](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)(C(=O)[O-])C1(C)C	ZINC000439721068	939201524	/nfs/dbraw/zinc/20/15/24/939201524.db2.gz	RLZNBXBROJALQB-LIRRHRJNSA-N	-1	0	419.459	3.107	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1	ZINC000538466450	939272634	/nfs/dbraw/zinc/27/26/34/939272634.db2.gz	JNRUCOHMHBCPCT-INIZCTEOSA-N	-1	0	418.768	3.129	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000568945253	939371147	/nfs/dbraw/zinc/37/11/47/939371147.db2.gz	JNEIWZWRKKPCHC-HNNXBMFYSA-N	-1	0	422.235	3.025	20	5		HGBDRM
O=C([O-])C1(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc2C1	ZINC000580148632	939768070	/nfs/dbraw/zinc/76/80/70/939768070.db2.gz	BJBHQEOKJTVXKN-UHFFFAOYSA-N	-1	0	406.847	3.079	20	5		HGBDRM
C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000583181520	939789312	/nfs/dbraw/zinc/78/93/12/939789312.db2.gz	KKFNLESYQDZOGN-BMIGLBTASA-N	-1	0	409.345	3.382	20	5		HGBDRM
C[C@](NC(=O)NCCOc1ccc2ccccc2c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000604534216	939807410	/nfs/dbraw/zinc/80/74/10/939807410.db2.gz	BQVMGZRRXLOKPH-JOCHJYFZSA-N	-1	0	423.425	3.426	20	5		HGBDRM
Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000746361376	939059746	/nfs/dbraw/zinc/05/97/46/939059746.db2.gz	FTNMWMXDSZAGMW-GOSISDBHSA-N	-1	0	412.377	3.092	20	5		HGBDRM
CNc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000776652035	939098808	/nfs/dbraw/zinc/09/88/08/939098808.db2.gz	PIKOVDGHVBHOEH-KRWDZBQOSA-N	-1	0	422.235	3.129	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000485202691	939219102	/nfs/dbraw/zinc/21/91/02/939219102.db2.gz	ATUBHSAXLJUWHC-MRXNPFEDSA-N	-1	0	422.235	3.101	20	5		HGBDRM
COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000514706260	939237548	/nfs/dbraw/zinc/23/75/48/939237548.db2.gz	ABRZBAONYUBPII-AWEZNQCLSA-N	-1	0	424.207	3.313	20	5		HGBDRM
O=C([O-])[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(F)c1	ZINC000539568247	939281231	/nfs/dbraw/zinc/28/12/31/939281231.db2.gz	AWQRJUUPGGLUCD-INIZCTEOSA-N	-1	0	419.752	3.197	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)c(F)c1	ZINC000539571048	939282690	/nfs/dbraw/zinc/28/26/90/939282690.db2.gz	XATZIQXAYVKYPO-MRXNPFEDSA-N	-1	0	418.768	3.129	20	5		HGBDRM
CCC1CCC(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)(C(=O)[O-])CC1	ZINC000540702544	939291763	/nfs/dbraw/zinc/29/17/63/939291763.db2.gz	LYFIWTQHUDWBRI-UHFFFAOYSA-N	-1	0	410.492	3.376	20	5		HGBDRM
O=C([O-])[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cc1	ZINC000571598021	939392965	/nfs/dbraw/zinc/39/29/65/939392965.db2.gz	SEGNSUIJVJQCER-CYBMUJFWSA-N	-1	0	412.171	3.444	20	5		HGBDRM