smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)nn2)CC1	ZINC000010213357	536422503	/nfs/dbraw/zinc/42/25/03/536422503.db2.gz	HWUFTXCVCOIGBE-UHFFFAOYSA-N	0	1	445.911	1.752	50	5		IDBAMN
CN1CCN(CCNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1	ZINC000024528434	557440437	/nfs/dbraw/zinc/44/04/37/557440437.db2.gz	NAGJVNMJNNYMPY-UHFFFAOYSA-N	0	1	425.555	1.819	50	5		IDBAMN
COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@](C)(C(=O)OC)c1ccc(Br)cc1	ZINC000229739947	569461512	/nfs/dbraw/zinc/46/15/12/569461512.db2.gz	GCWNQORUNDAGJT-CKEIUWERSA-N	0	1	429.267	1.978	50	5		IDBAMN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1	ZINC000040114690	569489133	/nfs/dbraw/zinc/48/91/33/569489133.db2.gz	MWXWUESGWVSDQH-YOEHRIQHSA-N	0	1	426.495	1.157	50	5		IDBAMN
NC(=O)CCN(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1	ZINC000032858044	556434155	/nfs/dbraw/zinc/43/41/55/556434155.db2.gz	BKUZGJWNBODVME-UHFFFAOYSA-N	0	1	425.489	1.621	50	5		IDBAMN
COc1cccc(C2=NOC3C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@@H]23)c1OC	ZINC000102557424	557358862	/nfs/dbraw/zinc/35/88/62/557358862.db2.gz	LULKPPQXBCOLNF-MAUKXSAKSA-N	0	1	427.369	1.913	50	5		IDBAMN
O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000107367059	557535765	/nfs/dbraw/zinc/53/57/65/557535765.db2.gz	BIEIUQDFFGXHKY-PXNSSMCTSA-N	0	1	436.472	1.788	50	5		IDBAMN
CCOC(=O)c1cc(C(=O)NC[C@@H](C)C(=O)NCCCc2cn[nH]c2C)cc([N+](=O)[O-])c1	ZINC000095397404	569363649	/nfs/dbraw/zinc/36/36/49/569363649.db2.gz	MXBMHXCUNGBZMF-CYBMUJFWSA-N	0	1	445.476	1.918	50	5		IDBAMN
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	ZINC000009741417	569565231	/nfs/dbraw/zinc/56/52/31/569565231.db2.gz	UHDXSPVVVXDELW-HXUWFJFHSA-N	0	1	441.488	1.647	50	5		IDBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000009123267	132305193	/nfs/dbraw/zinc/30/51/93/132305193.db2.gz	JFSQCMFCQWCEPE-UTKZUKDTSA-N	0	1	440.387	1.765	50	5		IDBAMN
O=C1NC(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCOC[C@@H]12	ZINC000012376669	527057252	/nfs/dbraw/zinc/05/72/52/527057252.db2.gz	AALINAZXSVYISB-UTKZUKDTSA-N	0	1	438.465	1.790	50	5		IDBAMN
CN1CCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cn2)CC1	ZINC000023318092	557216220	/nfs/dbraw/zinc/21/62/20/557216220.db2.gz	XVCZDRNDZDXLPU-UHFFFAOYSA-N	0	1	440.504	1.508	50	5		IDBAMN
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	ZINC000004850983	557397028	/nfs/dbraw/zinc/39/70/28/557397028.db2.gz	HNGVVNJNFPAPGC-FQEVSTJZSA-N	0	1	425.489	1.947	50	5		IDBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1	ZINC000009971417	562978157	/nfs/dbraw/zinc/97/81/57/562978157.db2.gz	NOIQVBWKDSREQK-HNNXBMFYSA-N	0	1	441.487	1.853	50	5		IDBAMN
CCOC(=O)C(C(=O)OCC)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000002194090	569190744	/nfs/dbraw/zinc/19/07/44/569190744.db2.gz	OZDJQRGJRNVVND-CABCVRRESA-N	0	1	425.459	1.860	50	5		IDBAMN
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	ZINC000008439598	569464282	/nfs/dbraw/zinc/46/42/82/569464282.db2.gz	ZGXJQYYNKIWLEG-PXAZEXFGSA-N	0	1	427.417	1.901	50	5		IDBAMN
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	ZINC000008439597	569464290	/nfs/dbraw/zinc/46/42/90/569464290.db2.gz	ZGXJQYYNKIWLEG-YVEFUNNKSA-N	0	1	427.417	1.901	50	5		IDBAMN
CN(C)CCNS(=O)(=O)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000009127473	569505217	/nfs/dbraw/zinc/50/52/17/569505217.db2.gz	JJHLAKCNWXKGMA-UHFFFAOYSA-N	0	1	449.518	1.562	50	5		IDBAMN
Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1[N+](=O)[O-]	ZINC000009438875	569535027	/nfs/dbraw/zinc/53/50/27/569535027.db2.gz	WMSHCIBJLMYUBE-UHFFFAOYSA-N	0	1	431.434	1.638	50	5		IDBAMN
COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@](C)(C(=O)OC)c1ccc(Br)cc1	ZINC000072292784	557159509	/nfs/dbraw/zinc/15/95/09/557159509.db2.gz	GCWNQORUNDAGJT-JKIFEVAISA-N	0	1	429.267	1.978	50	5		IDBAMN
CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000096319687	557199382	/nfs/dbraw/zinc/19/93/82/557199382.db2.gz	LFMPANLGNBHPNA-UHFFFAOYSA-N	0	1	440.503	1.332	50	5		IDBAMN
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCNCC2)c([N+](=O)[O-])cc1OC	ZINC000016676218	568937248	/nfs/dbraw/zinc/93/72/48/568937248.db2.gz	SLEQFOQABYKXCP-SFQUDFHCSA-N	0	1	440.456	1.815	50	5		IDBAMN
CCOC(=O)c1cc(C(=O)NC[C@H](C)C(=O)NCCCc2cn[nH]c2C)cc([N+](=O)[O-])c1	ZINC000095397405	569363670	/nfs/dbraw/zinc/36/36/70/569363670.db2.gz	MXBMHXCUNGBZMF-ZDUSSCGKSA-N	0	1	445.476	1.918	50	5		IDBAMN
CCOC(=O)C1C(Cn2cc([N+](=O)[O-])cn2)=NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1	ZINC000008782639	569475845	/nfs/dbraw/zinc/47/58/45/569475845.db2.gz	GIRCDECMNUUUSX-GOSISDBHSA-N	0	1	445.432	1.818	50	5		IDBAMN
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@H]2C1	ZINC000245329025	569503473	/nfs/dbraw/zinc/50/34/73/569503473.db2.gz	WUUBSLFGDOAHAQ-XXBNENTESA-N	0	1	449.467	1.741	50	5		IDBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@H]2C1	ZINC000245329025	569503474	/nfs/dbraw/zinc/50/34/74/569503474.db2.gz	WUUBSLFGDOAHAQ-XXBNENTESA-N	0	1	449.467	1.741	50	5		IDBAMN
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)CC1	ZINC000009742196	569565375	/nfs/dbraw/zinc/56/53/75/569565375.db2.gz	CFFVOHGZWLUNNQ-IBGZPJMESA-N	0	1	429.452	1.777	50	5		IDBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013120480	562984657	/nfs/dbraw/zinc/98/46/57/562984657.db2.gz	VKUFFNVBHZSYMQ-MRXNPFEDSA-N	0	1	447.425	1.705	50	5		IDBAMN
CS(=O)(=O)c1ccc(N2CCN(C(=O)CCCCc3cn[nH]n3)CC2)c([N+](=O)[O-])c1	ZINC000096013679	569380410	/nfs/dbraw/zinc/38/04/10/569380410.db2.gz	HWVSXUUBVUCIEU-UHFFFAOYSA-N	0	1	436.494	1.178	50	5		IDBAMN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1	ZINC000040114688	569489116	/nfs/dbraw/zinc/48/91/16/569489116.db2.gz	MWXWUESGWVSDQH-PBHICJAKSA-N	0	1	426.495	1.157	50	5		IDBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(F)cc1	ZINC000009123266	132304979	/nfs/dbraw/zinc/30/49/79/132304979.db2.gz	JFSQCMFCQWCEPE-DYESRHJHSA-N	0	1	440.387	1.765	50	5		IDBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000014230165	557326466	/nfs/dbraw/zinc/32/64/66/557326466.db2.gz	WLCBFEIHIZXNGC-UHFFFAOYSA-N	0	1	427.460	1.417	50	5		IDBAMN
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	ZINC000004850982	557397059	/nfs/dbraw/zinc/39/70/59/557397059.db2.gz	HNGVVNJNFPAPGC-HXUWFJFHSA-N	0	1	425.489	1.947	50	5		IDBAMN
COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OC	ZINC000002713577	569417953	/nfs/dbraw/zinc/41/79/53/569417953.db2.gz	KEVXQYVXTVVSMH-CKYFFXLPSA-N	0	1	426.428	1.619	50	5		IDBAMN
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000009741992	569565289	/nfs/dbraw/zinc/56/52/89/569565289.db2.gz	KXBSQPHLSBCTGR-IBGZPJMESA-N	0	1	429.452	1.777	50	5		IDBAMN
CN1CCN(C(C)(C)CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC1	ZINC000012728202	523886227	/nfs/dbraw/zinc/88/62/27/523886227.db2.gz	ZNMIGOPZZCSXBQ-UHFFFAOYSA-N	0	1	425.555	1.817	50	5		IDBAMN
COc1ccccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012919330	524345066	/nfs/dbraw/zinc/34/50/66/524345066.db2.gz	QIBLAAKAESSFEJ-UHFFFAOYSA-N	0	1	449.803	1.486	50	5		IDBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)c(OC)c1	ZINC000101251615	557265106	/nfs/dbraw/zinc/26/51/06/557265106.db2.gz	ONUKRBYQSGVVLA-AEFFLSMTSA-N	0	1	427.369	1.913	50	5		IDBAMN
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000004850938	557397085	/nfs/dbraw/zinc/39/70/85/557397085.db2.gz	QLILTDAVUOJVNJ-FQEVSTJZSA-N	0	1	425.489	1.947	50	5		IDBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013120482	562984634	/nfs/dbraw/zinc/98/46/34/562984634.db2.gz	VKUFFNVBHZSYMQ-INIZCTEOSA-N	0	1	447.425	1.705	50	5		IDBAMN
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003454284	569451690	/nfs/dbraw/zinc/45/16/90/569451690.db2.gz	HMCPKVSYOZQIEN-OAHLLOKOSA-N	0	1	429.410	1.898	50	5		IDBAMN
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003454288	569451750	/nfs/dbraw/zinc/45/17/50/569451750.db2.gz	HMCPKVSYOZQIEN-HNNXBMFYSA-N	0	1	429.410	1.898	50	5		IDBAMN
Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccco1	ZINC000009599488	569551286	/nfs/dbraw/zinc/55/12/86/569551286.db2.gz	IAFLFQXXGNOFRP-UHFFFAOYSA-N	0	1	430.402	1.836	50	5		IDBAMN
CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cn2)CC1	ZINC000012545659	523926130	/nfs/dbraw/zinc/92/61/30/523926130.db2.gz	AUDMSJTVAXJYLX-UHFFFAOYSA-N	0	1	439.520	1.773	50	5		IDBAMN
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1[N+](=O)[O-]	ZINC000015687360	525036003	/nfs/dbraw/zinc/03/60/03/525036003.db2.gz	YSDZKDIQNCUNRH-UHFFFAOYSA-N	0	1	445.457	1.626	50	5		IDBAMN
CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nn2)CC1	ZINC000004583389	556584706	/nfs/dbraw/zinc/58/47/06/556584706.db2.gz	BTYSNCMBNYBZSI-UHFFFAOYSA-N	0	1	425.493	1.489	50	5		IDBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000013615400	556702226	/nfs/dbraw/zinc/70/22/26/556702226.db2.gz	RNFVIQZXFPBWDY-UHFFFAOYSA-N	0	1	441.487	1.725	50	5		IDBAMN
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	ZINC000004850993	557396984	/nfs/dbraw/zinc/39/69/84/557396984.db2.gz	RKJWBPWFUBVTNM-HXUWFJFHSA-N	0	1	425.489	1.947	50	5		IDBAMN
O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCN(CCO)CC2)n1-c1ccccc1F	ZINC000020155019	569353695	/nfs/dbraw/zinc/35/36/95/569353695.db2.gz	CFFVMIJRLOMVQR-UHFFFAOYSA-N	0	1	427.436	1.543	50	5		IDBAMN
CCC(CC)[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCOCC1	ZINC000040051062	569484322	/nfs/dbraw/zinc/48/43/22/569484322.db2.gz	KDHVAUJIERMURD-SFHVURJKSA-N	0	1	434.493	1.573	50	5		IDBAMN
O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000107367061	557535753	/nfs/dbraw/zinc/53/57/53/557535753.db2.gz	BIEIUQDFFGXHKY-XLIONFOSSA-N	0	1	436.472	1.788	50	5		IDBAMN
CS(=O)(=O)c1cc(C(=O)NC2CCN(CC3(O)CCCCC3)CC2)cc([N+](=O)[O-])c1	ZINC000089490012	568926820	/nfs/dbraw/zinc/92/68/20/568926820.db2.gz	DQCUGPYPMPHPCX-UHFFFAOYSA-N	0	1	439.534	1.888	50	5		IDBAMN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cc([N+](=O)[O-])ccc1O	ZINC000008456487	569465018	/nfs/dbraw/zinc/46/50/18/569465018.db2.gz	STBQPUKVEJMZMN-CVEARBPZSA-N	0	1	432.392	1.777	50	5		IDBAMN
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@H]2C1	ZINC000245328711	569503446	/nfs/dbraw/zinc/50/34/46/569503446.db2.gz	WUUBSLFGDOAHAQ-AUSIDOKSSA-N	0	1	449.467	1.741	50	5		IDBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@H]2C1	ZINC000245328711	569503447	/nfs/dbraw/zinc/50/34/47/569503447.db2.gz	WUUBSLFGDOAHAQ-AUSIDOKSSA-N	0	1	449.467	1.741	50	5		IDBAMN
CCOc1cc(C2C(C(=O)OC)=CN(CCOC)C=C2C(=O)OC)cc([N+](=O)[O-])c1O	ZINC000035877220	520689544	/nfs/dbraw/zinc/68/95/44/520689544.db2.gz	DKPRLKAZQCEAHK-UHFFFAOYSA-N	0	1	436.417	1.859	50	5		IDBAMN
COc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4[nH]c(=O)c(=O)n(C)c4c3c2)cc1	ZINC000009560759	562973266	/nfs/dbraw/zinc/97/32/66/562973266.db2.gz	NEKWOFOCHXTXHW-UHFFFAOYSA-N	0	1	429.410	1.143	50	5		IDBAMN
O=C(c1ccc(O)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1	ZINC000170595780	569141761	/nfs/dbraw/zinc/14/17/61/569141761.db2.gz	MGJJLKMQYRFAEJ-UHFFFAOYSA-N	0	1	431.430	1.323	50	5		IDBAMN
CCOC(=O)C(C(=O)OCC)[C@@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000002194087	569190727	/nfs/dbraw/zinc/19/07/27/569190727.db2.gz	OZDJQRGJRNVVND-GJZGRUSLSA-N	0	1	425.459	1.860	50	5		IDBAMN
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	ZINC000008439595	569464241	/nfs/dbraw/zinc/46/42/41/569464241.db2.gz	ZGXJQYYNKIWLEG-SJCJKPOMSA-N	0	1	427.417	1.901	50	5		IDBAMN
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	ZINC000009741454	569565233	/nfs/dbraw/zinc/56/52/33/569565233.db2.gz	DVTILAUEQGPHQL-HXUWFJFHSA-N	0	1	441.488	1.647	50	5		IDBAMN
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	ZINC000009741411	569565235	/nfs/dbraw/zinc/56/52/35/569565235.db2.gz	UHDXSPVVVXDELW-FQEVSTJZSA-N	0	1	441.488	1.647	50	5		IDBAMN
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000009741998	569565332	/nfs/dbraw/zinc/56/53/32/569565332.db2.gz	KXBSQPHLSBCTGR-LJQANCHMSA-N	0	1	429.452	1.777	50	5		IDBAMN
O=C(NCCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012520968	526320789	/nfs/dbraw/zinc/32/07/89/526320789.db2.gz	DBWSVSOHLMZHFR-UHFFFAOYSA-N	0	1	434.474	1.458	50	5		IDBAMN
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000004850934	557397053	/nfs/dbraw/zinc/39/70/53/557397053.db2.gz	QLILTDAVUOJVNJ-HXUWFJFHSA-N	0	1	425.489	1.947	50	5		IDBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)c(OC)c1	ZINC000104046599	557449387	/nfs/dbraw/zinc/44/93/87/557449387.db2.gz	ONUKRBYQSGVVLA-SJLPKXTDSA-N	0	1	427.369	1.913	50	5		IDBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)C2ON=C(c3cccc(OC)c3OC)[C@@H]2C1=O	ZINC000104136550	557451091	/nfs/dbraw/zinc/45/10/91/557451091.db2.gz	VIMZKSWSPLNAGX-MAUKXSAKSA-N	0	1	427.369	1.913	50	5		IDBAMN
O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000084535867	568798625	/nfs/dbraw/zinc/79/86/25/568798625.db2.gz	BIEIUQDFFGXHKY-YLJYHZDGSA-N	0	1	436.472	1.788	50	5		IDBAMN
COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000225596499	569405353	/nfs/dbraw/zinc/40/53/53/569405353.db2.gz	RHWMDHVJEWVEEZ-UHFFFAOYSA-N	0	1	447.536	1.448	50	5		IDBAMN
O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003384950	569448961	/nfs/dbraw/zinc/44/89/61/569448961.db2.gz	JEAXVZBNLVBADF-UHFFFAOYSA-N	0	1	436.380	1.364	50	5		IDBAMN
CCOC(=O)C1C(Cn2cc([N+](=O)[O-])cn2)=NC(=O)N[C@H]1c1ccc(OC)c(COC)c1	ZINC000008782640	569475825	/nfs/dbraw/zinc/47/58/25/569475825.db2.gz	GIRCDECMNUUUSX-SFHVURJKSA-N	0	1	445.432	1.818	50	5		IDBAMN
CC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000009097252	569501511	/nfs/dbraw/zinc/50/15/11/569501511.db2.gz	HROSIDLLRKOTHU-UHFFFAOYSA-N	0	1	432.458	1.700	50	5		IDBAMN
CN1CC=C(c2noc(CCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)CC1	ZINC000020467436	523748519	/nfs/dbraw/zinc/74/85/19/523748519.db2.gz	ATMCCNCBYKKZJO-UHFFFAOYSA-N	0	1	426.477	1.978	50	5		IDBAMN
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCOC[C@H]12	ZINC000247338277	556877785	/nfs/dbraw/zinc/87/77/85/556877785.db2.gz	AALINAZXSVYISB-LAUBAEHRSA-N	0	1	438.465	1.790	50	5		IDBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]23)c(OC)c1	ZINC000104046614	557449532	/nfs/dbraw/zinc/44/95/32/557449532.db2.gz	ONUKRBYQSGVVLA-WMZOPIPTSA-N	0	1	427.369	1.913	50	5		IDBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013120389	562984665	/nfs/dbraw/zinc/98/46/65/562984665.db2.gz	JEWNYWIRCXUNKJ-INIZCTEOSA-N	0	1	447.425	1.705	50	5		IDBAMN
O=C(CSc1c[nH]nn1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000009289068	569295088	/nfs/dbraw/zinc/29/50/88/569295088.db2.gz	RYEDTVWUBJUQCV-UHFFFAOYSA-N	0	1	426.461	1.733	50	5		IDBAMN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1O	ZINC000008456489	569465023	/nfs/dbraw/zinc/46/50/23/569465023.db2.gz	STBQPUKVEJMZMN-HOTGVXAUSA-N	0	1	432.392	1.777	50	5		IDBAMN
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000009741280	569565228	/nfs/dbraw/zinc/56/52/28/569565228.db2.gz	PMBLPAIHZHAQLZ-HXUWFJFHSA-N	0	1	441.488	1.647	50	5		IDBAMN
COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	ZINC000009741446	569565264	/nfs/dbraw/zinc/56/52/64/569565264.db2.gz	DVTILAUEQGPHQL-FQEVSTJZSA-N	0	1	441.488	1.647	50	5		IDBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(F)cc1	ZINC000229902013	556406987	/nfs/dbraw/zinc/40/69/87/556406987.db2.gz	JFSQCMFCQWCEPE-UWJYYQICSA-N	0	1	440.387	1.765	50	5		IDBAMN
COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@](C)(C(=O)OC)c1ccc(Br)cc1	ZINC000072292785	556502373	/nfs/dbraw/zinc/50/23/73/556502373.db2.gz	GCWNQORUNDAGJT-KEYYUXOJSA-N	0	1	429.267	1.978	50	5		IDBAMN
CCN1CCN(c2ccc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nn2)CC1	ZINC000004583388	556584640	/nfs/dbraw/zinc/58/46/40/556584640.db2.gz	JQTXGBXMOFHMSJ-UHFFFAOYSA-N	0	1	425.493	1.489	50	5		IDBAMN
CC(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	ZINC000032932679	556675864	/nfs/dbraw/zinc/67/58/64/556675864.db2.gz	TZCICHYYBHMOBF-UHFFFAOYSA-N	0	1	426.539	1.784	50	5		IDBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]23)c(OC)c1	ZINC000104046607	557449539	/nfs/dbraw/zinc/44/95/39/557449539.db2.gz	ONUKRBYQSGVVLA-FUHWJXTLSA-N	0	1	427.369	1.913	50	5		IDBAMN
O=C(NCCCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000015934600	563018493	/nfs/dbraw/zinc/01/84/93/563018493.db2.gz	CKUPPDZXAXUDRW-UHFFFAOYSA-N	0	1	448.501	1.848	50	5		IDBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2[nH]nc3ccccc32)CC1	ZINC000015929197	568858879	/nfs/dbraw/zinc/85/88/79/568858879.db2.gz	FXDHGPSQBGACBA-UHFFFAOYSA-N	0	1	429.458	1.926	50	5		IDBAMN
CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000089575511	568937938	/nfs/dbraw/zinc/93/79/38/568937938.db2.gz	KIEPUBDBBNGULN-UHFFFAOYSA-N	0	1	432.455	1.793	50	5		IDBAMN
COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@](C)(C(=O)OC)c1ccc(Br)cc1	ZINC000240471590	569146691	/nfs/dbraw/zinc/14/66/91/569146691.db2.gz	GCWNQORUNDAGJT-CPUCHLNUSA-N	0	1	429.267	1.978	50	5		IDBAMN
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@@H]2C1	ZINC000017028524	569171171	/nfs/dbraw/zinc/17/11/71/569171171.db2.gz	JTTPYSVJXJKWNC-JXFKEZNVSA-N	0	1	431.449	1.213	50	5		IDBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@@H]2C1	ZINC000017028524	569171173	/nfs/dbraw/zinc/17/11/73/569171173.db2.gz	JTTPYSVJXJKWNC-JXFKEZNVSA-N	0	1	431.449	1.213	50	5		IDBAMN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1O	ZINC000002483874	569404827	/nfs/dbraw/zinc/40/48/27/569404827.db2.gz	STBQPUKVEJMZMN-JKSUJKDBSA-N	0	1	432.392	1.777	50	5		IDBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000002992217	569434825	/nfs/dbraw/zinc/43/48/25/569434825.db2.gz	QWZNKFYOBYTELF-UHFFFAOYSA-N	0	1	427.460	1.417	50	5		IDBAMN
COc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000009740825	569565196	/nfs/dbraw/zinc/56/51/96/569565196.db2.gz	RKKMBQZCOQDIME-FQEVSTJZSA-N	0	1	434.518	1.870	50	5		IDBAMN
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)CC1	ZINC000009742206	569565359	/nfs/dbraw/zinc/56/53/59/569565359.db2.gz	CFFVOHGZWLUNNQ-LJQANCHMSA-N	0	1	429.452	1.777	50	5		IDBAMN
CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)CC1	ZINC000009742256	569565366	/nfs/dbraw/zinc/56/53/66/569565366.db2.gz	CIGZCOMIMIACEY-LJQANCHMSA-N	0	1	429.452	1.777	50	5		IDBAMN
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000012342633	525354200	/nfs/dbraw/zinc/35/42/00/525354200.db2.gz	PMBLPAIHZHAQLZ-FQEVSTJZSA-N	0	1	441.488	1.647	50	5		IDBAMN
CCn1c(=O)c(=O)[nH]c2c(=O)oc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3c21	ZINC000009560755	562973231	/nfs/dbraw/zinc/97/32/31/562973231.db2.gz	OKUANNVBJOCVAW-UHFFFAOYSA-N	0	1	443.437	1.626	50	5		IDBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1	ZINC000009971418	562978151	/nfs/dbraw/zinc/97/81/51/562978151.db2.gz	NOIQVBWKDSREQK-OAHLLOKOSA-N	0	1	441.487	1.853	50	5		IDBAMN
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013120388	562984645	/nfs/dbraw/zinc/98/46/45/562984645.db2.gz	JEWNYWIRCXUNKJ-MRXNPFEDSA-N	0	1	447.425	1.705	50	5		IDBAMN
CCOC(=O)C(C(=O)OCC)[C@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000002194086	569190805	/nfs/dbraw/zinc/19/08/05/569190805.db2.gz	OZDJQRGJRNVVND-LSDHHAIUSA-N	0	1	425.459	1.860	50	5		IDBAMN
O=C1NC(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCOC[C@H]12	ZINC000230038740	569418375	/nfs/dbraw/zinc/41/83/75/569418375.db2.gz	AALINAZXSVYISB-UWJYYQICSA-N	0	1	438.465	1.790	50	5		IDBAMN
NS(=O)(=O)c1ccc(N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)c([N+](=O)[O-])c1	ZINC000058229905	569450991	/nfs/dbraw/zinc/45/09/91/569450991.db2.gz	YKCZTYNZLIPMSI-UHFFFAOYSA-N	0	1	430.446	1.081	50	5		IDBAMN
CCC(CC)[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCOCC1	ZINC000040051061	569484374	/nfs/dbraw/zinc/48/43/74/569484374.db2.gz	KDHVAUJIERMURD-GOSISDBHSA-N	0	1	434.493	1.573	50	5		IDBAMN
COC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OC	ZINC000245238322	569500538	/nfs/dbraw/zinc/50/05/38/569500538.db2.gz	KEVXQYVXTVVSMH-HOSYDEDBSA-N	0	1	426.428	1.619	50	5		IDBAMN
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	ZINC000004850994	557396975	/nfs/dbraw/zinc/39/69/75/557396975.db2.gz	RKJWBPWFUBVTNM-FQEVSTJZSA-N	0	1	425.489	1.947	50	5		IDBAMN
O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000084535869	568798527	/nfs/dbraw/zinc/79/85/27/568798527.db2.gz	BIEIUQDFFGXHKY-FXAWDEMLSA-N	0	1	436.472	1.788	50	5		IDBAMN
CCOC(=O)C(C(=O)OCC)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	ZINC000002194089	569190767	/nfs/dbraw/zinc/19/07/67/569190767.db2.gz	OZDJQRGJRNVVND-HUUCEWRRSA-N	0	1	425.459	1.860	50	5		IDBAMN
Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cc([N+](=O)[O-])ccc1O	ZINC000002483878	569404839	/nfs/dbraw/zinc/40/48/39/569404839.db2.gz	STBQPUKVEJMZMN-HZPDHXFCSA-N	0	1	432.392	1.777	50	5		IDBAMN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1	ZINC000040114693	569489124	/nfs/dbraw/zinc/48/91/24/569489124.db2.gz	MWXWUESGWVSDQH-WMLDXEAASA-N	0	1	426.495	1.157	50	5		IDBAMN
CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)CC1	ZINC000009742243	569565343	/nfs/dbraw/zinc/56/53/43/569565343.db2.gz	CIGZCOMIMIACEY-IBGZPJMESA-N	0	1	429.452	1.777	50	5		IDBAMN
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCOC[C@@H]12	ZINC000012376668	527057266	/nfs/dbraw/zinc/05/72/66/527057266.db2.gz	AALINAZXSVYISB-DYESRHJHSA-N	0	1	438.465	1.790	50	5		IDBAMN
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	ZINC000008439600	569464245	/nfs/dbraw/zinc/46/42/45/569464245.db2.gz	ZGXJQYYNKIWLEG-SJKOYZFVSA-N	0	1	427.417	1.901	50	5		IDBAMN
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC000040114691	569489146	/nfs/dbraw/zinc/48/91/46/569489146.db2.gz	MWXWUESGWVSDQH-RHSMWYFYSA-N	0	1	426.495	1.157	50	5		IDBAMN
COc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000009740828	569565217	/nfs/dbraw/zinc/56/52/17/569565217.db2.gz	RKKMBQZCOQDIME-HXUWFJFHSA-N	0	1	434.518	1.870	50	5		IDBAMN