smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1)N1CCOCC1	ZINC000010206595	1075630506	/nfs/dbraw/zinc/63/05/06/1075630506.db2.gz	YYMMPKZXEYUFHV-UHFFFAOYSA-N	0	0	393.356	-1.161	20	5		GABDRN
NC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCN1	ZINC000011173366	1075635625	/nfs/dbraw/zinc/63/56/25/1075635625.db2.gz	WLHLSDGCCDYJBM-LBPRGKRZSA-N	0	0	399.429	-1.121	20	5		GABDRN
NC(=O)[C@H]1CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCN1	ZINC000011173387	1073433512	/nfs/dbraw/zinc/43/35/12/1073433512.db2.gz	WLHLSDGCCDYJBM-GFCCVEGCSA-N	0	0	399.429	-1.121	20	5		GABDRN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCC(=O)N1CCNC(=O)C1	ZINC000011284937	1075637401	/nfs/dbraw/zinc/63/74/01/1075637401.db2.gz	KWBVFHOLRAJKMX-UHFFFAOYSA-N	0	0	390.308	-1.308	20	5		GABDRN
NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCN1	ZINC000014300868	1073875119	/nfs/dbraw/zinc/87/51/19/1073875119.db2.gz	AMVXXNBESSALPT-LBPRGKRZSA-N	0	0	399.429	-1.121	20	5		GABDRN
NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCN1	ZINC000014300869	1073875297	/nfs/dbraw/zinc/87/52/97/1073875297.db2.gz	AMVXXNBESSALPT-GFCCVEGCSA-N	0	0	399.429	-1.121	20	5		GABDRN
O=C(CN1CCOCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1	ZINC000029088640	1074499019	/nfs/dbraw/zinc/49/90/19/1074499019.db2.gz	TVMLAANDKIYDIS-UHFFFAOYSA-N	0	0	379.373	-1.100	20	5		GABDRN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000029387792	1074503255	/nfs/dbraw/zinc/50/32/55/1074503255.db2.gz	LTEMKZJWNFMNLV-UHFFFAOYSA-N	0	0	388.406	-1.488	20	5		GABDRN
CS(=O)(=O)NCCNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042890183	530169081	/nfs/dbraw/zinc/16/90/81/530169081.db2.gz	MAJOUCKTQMZINI-NWDGAFQWSA-N	0	0	376.391	-1.163	20	5		GABDRN
CS(=O)(=O)NCCNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042890186	530168616	/nfs/dbraw/zinc/16/86/16/530168616.db2.gz	MAJOUCKTQMZINI-VXGBXAGGSA-N	0	0	376.391	-1.163	20	5		GABDRN
CS(=O)(=O)NCCNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042890190	530088104	/nfs/dbraw/zinc/08/81/04/530088104.db2.gz	MAJOUCKTQMZINI-RYUDHWBXSA-N	0	0	376.391	-1.163	20	5		GABDRN
CS(=O)(=O)NCCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000042890194	530088208	/nfs/dbraw/zinc/08/82/08/530088208.db2.gz	MAJOUCKTQMZINI-NEPJUHHUSA-N	0	0	376.391	-1.163	20	5		GABDRN
NC(=O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000050842834	1073552319	/nfs/dbraw/zinc/55/23/19/1073552319.db2.gz	GXVXVNVPCCECNM-LBPRGKRZSA-N	0	0	386.386	-1.024	20	5		GABDRN
NC(=O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000050842839	1073552153	/nfs/dbraw/zinc/55/21/53/1073552153.db2.gz	GXVXVNVPCCECNM-GFCCVEGCSA-N	0	0	386.386	-1.024	20	5		GABDRN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000052406133	1073620762	/nfs/dbraw/zinc/62/07/62/1073620762.db2.gz	RGNCLHGIGVXRIV-UHFFFAOYSA-N	0	0	388.406	-1.488	20	5		GABDRN
CN1CC(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000057404945	1074515588	/nfs/dbraw/zinc/51/55/88/1074515588.db2.gz	KAABEIKXKUEIAX-UHFFFAOYSA-N	0	0	399.385	-1.117	20	5		GABDRN
CN(CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	ZINC000057405118	530169083	/nfs/dbraw/zinc/16/90/83/530169083.db2.gz	SUPOHKWGKBEFGX-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
C[C@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000057443813	530169035	/nfs/dbraw/zinc/16/90/35/530169035.db2.gz	BAXUMIMOQOFDJO-VIFPVBQESA-N	0	0	394.431	-1.073	20	5		GABDRN
C[C@@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000057443815	530168850	/nfs/dbraw/zinc/16/88/50/530168850.db2.gz	BAXUMIMOQOFDJO-SECBINFHSA-N	0	0	394.431	-1.073	20	5		GABDRN
CS(=O)(=O)NCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000057444749	530168541	/nfs/dbraw/zinc/16/85/41/530168541.db2.gz	PZWBAVWXLUHMIK-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
O=C(Cn1ccc(=O)[nH]c1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000057453999	1074515543	/nfs/dbraw/zinc/51/55/43/1074515543.db2.gz	LGQRBTJRWRMLMH-UHFFFAOYSA-N	0	0	397.369	-1.461	20	5		GABDRN
CS(=O)(=O)NCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000063680102	530075166	/nfs/dbraw/zinc/07/51/66/530075166.db2.gz	FHELAXGSHHBEFY-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
Cc1n[nH]c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[N+](=O)[O-]	ZINC000064336797	1074676799	/nfs/dbraw/zinc/67/67/99/1074676799.db2.gz	QZBPFRRPVDUMMY-UHFFFAOYSA-N	0	0	388.406	-1.039	20	5		GABDRN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000065841700	1073732545	/nfs/dbraw/zinc/73/25/45/1073732545.db2.gz	AZXLNCSVDPRMKC-UHFFFAOYSA-N	0	0	394.388	-1.371	20	5		GABDRN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC000066048385	1073743654	/nfs/dbraw/zinc/74/36/54/1073743654.db2.gz	MGOZFDPCHALNFF-UHFFFAOYSA-N	0	0	392.372	-1.080	20	5		GABDRN
CS(=O)(=O)NCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000066345511	530169672	/nfs/dbraw/zinc/16/96/72/530169672.db2.gz	UKFCBJMLHNYZTF-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
O=C(Cn1ccc(=O)[nH]c1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000066345517	1073756322	/nfs/dbraw/zinc/75/63/22/1073756322.db2.gz	KDMCNDNLOXKRDQ-UHFFFAOYSA-N	0	0	397.369	-1.461	20	5		GABDRN
C[C@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000116008737	530173399	/nfs/dbraw/zinc/17/33/99/530173399.db2.gz	HSWJORLTXAPSRN-VIFPVBQESA-N	0	0	394.431	-1.073	20	5		GABDRN
C[C@@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000116008741	530173164	/nfs/dbraw/zinc/17/31/64/530173164.db2.gz	HSWJORLTXAPSRN-SECBINFHSA-N	0	0	394.431	-1.073	20	5		GABDRN
O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNC(=O)C1	ZINC000263798340	1075514927	/nfs/dbraw/zinc/51/49/27/1075514927.db2.gz	ZWKDWUVQYIEVCK-JQWIXIFHSA-N	0	0	398.397	-1.323	20	5		GABDRN
O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCNC(=O)C1	ZINC000263798345	1075514913	/nfs/dbraw/zinc/51/49/13/1075514913.db2.gz	ZWKDWUVQYIEVCK-PWSUYJOCSA-N	0	0	398.397	-1.323	20	5		GABDRN
NS(=O)(=O)c1ccc(N2CCN(C(=O)Cn3cnnn3)CC2)c([N+](=O)[O-])c1	ZINC000263892322	1073590859	/nfs/dbraw/zinc/59/08/59/1073590859.db2.gz	XEZAPOFSDFJGBA-UHFFFAOYSA-N	0	0	396.389	-1.423	20	5		GABDRN
NC(=O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000264263214	1075518066	/nfs/dbraw/zinc/51/80/66/1075518066.db2.gz	QBXIDXZKFOJGTI-UHFFFAOYSA-N	0	0	375.341	-1.180	20	5		GABDRN
O=C(CN1CCC(=O)NC1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000264623315	1075519563	/nfs/dbraw/zinc/51/95/63/1075519563.db2.gz	AJZKMLARMDCDIL-UHFFFAOYSA-N	0	0	399.385	-1.069	20	5		GABDRN
NS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000264687314	1075519772	/nfs/dbraw/zinc/51/97/72/1075519772.db2.gz	QFWXZMOZTSQIDC-UHFFFAOYSA-N	0	0	397.369	-1.462	20	5		GABDRN
O=C(CN1CC(=O)NC1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000264815751	1075520483	/nfs/dbraw/zinc/52/04/83/1075520483.db2.gz	GSTJVDODXVILIC-UHFFFAOYSA-N	0	0	385.358	-1.459	20	5		GABDRN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1C(=O)CNC1=O	ZINC000265025806	1075521795	/nfs/dbraw/zinc/52/17/95/1075521795.db2.gz	WUCGIMPAKQVUBI-UHFFFAOYSA-N	0	0	375.297	-1.141	20	5		GABDRN
O=C(NCCN1C(=O)CNC1=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000265104806	1075522491	/nfs/dbraw/zinc/52/24/91/1075522491.db2.gz	VGZKNVHTIJPSJU-AAEUAGOBSA-N	0	0	381.345	-1.160	20	5		GABDRN
O=C(NCCN1C(=O)CNC1=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000265104809	1075522685	/nfs/dbraw/zinc/52/26/85/1075522685.db2.gz	VGZKNVHTIJPSJU-DGCLKSJQSA-N	0	0	381.345	-1.160	20	5		GABDRN
O=C(NCCN1C(=O)CNC1=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000265104812	1075522431	/nfs/dbraw/zinc/52/24/31/1075522431.db2.gz	VGZKNVHTIJPSJU-WCQYABFASA-N	0	0	381.345	-1.160	20	5		GABDRN
O=C(NCCN1C(=O)CNC1=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000265104815	1075522512	/nfs/dbraw/zinc/52/25/12/1075522512.db2.gz	VGZKNVHTIJPSJU-YPMHNXCESA-N	0	0	381.345	-1.160	20	5		GABDRN
CN(CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O	ZINC000265292463	530093813	/nfs/dbraw/zinc/09/38/13/530093813.db2.gz	VKJXHDRQHNRNKY-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
COCCNC(=O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000265323648	1075522893	/nfs/dbraw/zinc/52/28/93/1075522893.db2.gz	SKEJNYFWLKDNSN-UHFFFAOYSA-N	0	0	381.389	-1.337	20	5		GABDRN
O=C(CN1CC(=O)NC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000265349277	1075523500	/nfs/dbraw/zinc/52/35/00/1075523500.db2.gz	DOZXVZCCTBZWAY-UHFFFAOYSA-N	0	0	385.358	-1.459	20	5		GABDRN
C[C@@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000265349469	530093422	/nfs/dbraw/zinc/09/34/22/530093422.db2.gz	DTDPVJCSEQPHQU-SECBINFHSA-N	0	0	394.431	-1.073	20	5		GABDRN
C[C@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000265349475	530093782	/nfs/dbraw/zinc/09/37/82/530093782.db2.gz	DTDPVJCSEQPHQU-VIFPVBQESA-N	0	0	394.431	-1.073	20	5		GABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000265508633	1075524486	/nfs/dbraw/zinc/52/44/86/1075524486.db2.gz	REDACSJSCWBWSW-CYBMUJFWSA-N	0	0	393.400	-1.194	20	5		GABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1	ZINC000265508634	1075524453	/nfs/dbraw/zinc/52/44/53/1075524453.db2.gz	REDACSJSCWBWSW-ZDUSSCGKSA-N	0	0	393.400	-1.194	20	5		GABDRN
CN(CC(=O)NCCN1C(=O)CNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000265553468	1074752611	/nfs/dbraw/zinc/75/26/11/1074752611.db2.gz	NWOQNYGXLIRCMH-UHFFFAOYSA-N	0	0	399.385	-1.117	20	5		GABDRN
CN(CC(=O)NCCNS(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000265598982	530093643	/nfs/dbraw/zinc/09/36/43/530093643.db2.gz	BYGFMDDUUGHXGU-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
CN(CC(=O)N1CCO[C@@H](C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000265603121	1074756818	/nfs/dbraw/zinc/75/68/18/1074756818.db2.gz	CUFLOYWIDRVURM-GFCCVEGCSA-N	0	0	386.386	-1.072	20	5		GABDRN
CN(CC(=O)N1CCO[C@H](C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000265603125	1074756803	/nfs/dbraw/zinc/75/68/03/1074756803.db2.gz	CUFLOYWIDRVURM-LBPRGKRZSA-N	0	0	386.386	-1.072	20	5		GABDRN
CN(CC(=O)N1CCN(CC(N)=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000265605845	1074756983	/nfs/dbraw/zinc/75/69/83/1074756983.db2.gz	DBYQDDSRLUXOCJ-UHFFFAOYSA-N	0	0	399.429	-1.155	20	5		GABDRN
NS(=O)(=O)CCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000266200124	530098754	/nfs/dbraw/zinc/09/87/54/530098754.db2.gz	JGMSFMGUAPZUBH-UHFFFAOYSA-N	0	0	393.447	-1.347	20	5		GABDRN
O=C(C(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1	ZINC000266430586	1075530038	/nfs/dbraw/zinc/53/00/38/1075530038.db2.gz	KTCVTDVIQFNCSK-AWEZNQCLSA-N	0	0	396.404	-1.845	20	5		GABDRN
O=C(C(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1	ZINC000266430587	1075530115	/nfs/dbraw/zinc/53/01/15/1075530115.db2.gz	KTCVTDVIQFNCSK-CQSZACIVSA-N	0	0	396.404	-1.845	20	5		GABDRN
NS(=O)(=O)CCN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000267100555	1075533884	/nfs/dbraw/zinc/53/38/84/1075533884.db2.gz	OKPNNTGRUKLVKR-UHFFFAOYSA-N	0	0	399.429	-1.243	20	5		GABDRN
NS(=O)(=O)CCN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000267335736	1075534878	/nfs/dbraw/zinc/53/48/78/1075534878.db2.gz	CJRPPVYMAOSEGX-UHFFFAOYSA-N	0	0	385.402	-1.034	20	5		GABDRN
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1	ZINC000267384438	1075535065	/nfs/dbraw/zinc/53/50/65/1075535065.db2.gz	NYAIPGOKHHSGGH-UHFFFAOYSA-N	0	0	388.344	-1.109	20	5		GABDRN
CNS(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000267502797	1075535902	/nfs/dbraw/zinc/53/59/02/1075535902.db2.gz	LZQIKFPOCQKXLZ-SECBINFHSA-N	0	0	383.386	-1.350	20	5		GABDRN
CNS(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000267502803	1075535840	/nfs/dbraw/zinc/53/58/40/1075535840.db2.gz	LZQIKFPOCQKXLZ-VIFPVBQESA-N	0	0	383.386	-1.350	20	5		GABDRN
CNS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000267572721	530101386	/nfs/dbraw/zinc/10/13/86/530101386.db2.gz	HOYSTKRZJZXVEN-UHFFFAOYSA-N	0	0	380.404	-1.462	20	5		GABDRN
CNS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000267581738	530101548	/nfs/dbraw/zinc/10/15/48/530101548.db2.gz	JHUMFAVCQJRLMW-UHFFFAOYSA-N	0	0	380.404	-1.462	20	5		GABDRN
CNS(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000267588148	530101310	/nfs/dbraw/zinc/10/13/10/530101310.db2.gz	KMRCWWASHUNRJO-UHFFFAOYSA-N	0	0	380.404	-1.462	20	5		GABDRN
CN(CC(=O)NCCC(=O)NC(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000268180165	1075540003	/nfs/dbraw/zinc/54/00/03/1075540003.db2.gz	LFJAEWSMFUYQPL-UHFFFAOYSA-N	0	0	387.374	-1.084	20	5		GABDRN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1	ZINC000268549366	1075542273	/nfs/dbraw/zinc/54/22/73/1075542273.db2.gz	AOKNYXRXNRWAQB-JTQLQIEISA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000268549368	1075542706	/nfs/dbraw/zinc/54/27/06/1075542706.db2.gz	AOKNYXRXNRWAQB-SNVBAGLBSA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000268592337	1075542682	/nfs/dbraw/zinc/54/26/82/1075542682.db2.gz	MMFBFIQOAGYIEJ-SECBINFHSA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000268592341	1075542722	/nfs/dbraw/zinc/54/27/22/1075542722.db2.gz	MMFBFIQOAGYIEJ-VIFPVBQESA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1	ZINC000268651867	1075543044	/nfs/dbraw/zinc/54/30/44/1075543044.db2.gz	VAFPZSRUXAEMEC-JTQLQIEISA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000268651870	1075543113	/nfs/dbraw/zinc/54/31/13/1075543113.db2.gz	VAFPZSRUXAEMEC-SNVBAGLBSA-N	0	0	384.370	-1.065	20	5		GABDRN
O=C(CN1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000268962273	1075544442	/nfs/dbraw/zinc/54/44/42/1075544442.db2.gz	ZWCORQNIKDGJEX-SECBINFHSA-N	0	0	391.340	-1.095	20	5		GABDRN
O=C(CN1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000268962276	1075544471	/nfs/dbraw/zinc/54/44/71/1075544471.db2.gz	ZWCORQNIKDGJEX-VIFPVBQESA-N	0	0	391.340	-1.095	20	5		GABDRN
O=C(CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1)N1CCOCC1	ZINC000269014502	1075544862	/nfs/dbraw/zinc/54/48/62/1075544862.db2.gz	BMDNRTNKIWNJGE-UHFFFAOYSA-N	0	0	395.420	-1.023	20	5		GABDRN
O=C(CN1CCOCC1)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000269047564	1075545013	/nfs/dbraw/zinc/54/50/13/1075545013.db2.gz	OZQJVUPXUCXYIC-UHFFFAOYSA-N	0	0	395.420	-1.023	20	5		GABDRN
O=C(NC1CC1)C(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000269064422	1075544957	/nfs/dbraw/zinc/54/49/57/1075544957.db2.gz	WKQFRSKYMPGNCF-UHFFFAOYSA-N	0	0	379.377	-1.076	20	5		GABDRN
Cn1c2ncn(CCC(=O)NCCn3cc([N+](=O)[O-])cn3)c2c(=O)n(C)c1=O	ZINC000269079600	1075545286	/nfs/dbraw/zinc/54/52/86/1075545286.db2.gz	HNBWFKMBKSSBHL-UHFFFAOYSA-N	0	0	390.360	-1.255	20	5		GABDRN
Cn1cnc2c1c(=O)n(CC(=O)NCCn1cc([N+](=O)[O-])cn1)c(=O)n2C	ZINC000269100621	1075545306	/nfs/dbraw/zinc/54/53/06/1075545306.db2.gz	NWTLWILALOUASP-UHFFFAOYSA-N	0	0	376.333	-1.645	20	5		GABDRN
COc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000269104173	1075545330	/nfs/dbraw/zinc/54/53/30/1075545330.db2.gz	AFDQCHPGMMZBAS-SECBINFHSA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000269104176	1075545279	/nfs/dbraw/zinc/54/52/79/1075545279.db2.gz	AFDQCHPGMMZBAS-VIFPVBQESA-N	0	0	384.370	-1.065	20	5		GABDRN
COCCNC(=O)CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000269148013	1075545212	/nfs/dbraw/zinc/54/52/12/1075545212.db2.gz	NFGGYTPMVQKJPS-UHFFFAOYSA-N	0	0	383.409	-1.119	20	5		GABDRN
COc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000269165773	1075545647	/nfs/dbraw/zinc/54/56/47/1075545647.db2.gz	WVQRERCLCQWZFG-SECBINFHSA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000269165774	1075545652	/nfs/dbraw/zinc/54/56/52/1075545652.db2.gz	WVQRERCLCQWZFG-VIFPVBQESA-N	0	0	384.370	-1.065	20	5		GABDRN
O=C(Cn1cnnn1)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000269169057	1075545683	/nfs/dbraw/zinc/54/56/83/1075545683.db2.gz	XBZAPEMEAQCHGT-UHFFFAOYSA-N	0	0	378.353	-1.668	20	5		GABDRN
NC(=O)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000269595058	1075546964	/nfs/dbraw/zinc/54/69/64/1075546964.db2.gz	FUAWMDABTUQEQF-GFCCVEGCSA-N	0	0	385.402	-1.370	20	5		GABDRN
NC(=O)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000269595061	1075547076	/nfs/dbraw/zinc/54/70/76/1075547076.db2.gz	FUAWMDABTUQEQF-LBPRGKRZSA-N	0	0	385.402	-1.370	20	5		GABDRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H](N)CC(N)=O)CC1	ZINC000269607397	1075547441	/nfs/dbraw/zinc/54/74/41/1075547441.db2.gz	JKALPRDNRPZTAM-GFCCVEGCSA-N	0	0	399.429	-1.061	20	5		GABDRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H](N)CC(N)=O)CC1	ZINC000269607402	1075547403	/nfs/dbraw/zinc/54/74/03/1075547403.db2.gz	JKALPRDNRPZTAM-LBPRGKRZSA-N	0	0	399.429	-1.061	20	5		GABDRN
CCS(=O)(=O)NCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000270240372	530112068	/nfs/dbraw/zinc/11/20/68/530112068.db2.gz	CHVQRCIRSLLQGS-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
CCS(=O)(=O)NCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000270311651	530113928	/nfs/dbraw/zinc/11/39/28/530113928.db2.gz	VETAIDYIZNWRBX-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
CCS(=O)(=O)NCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000270337141	530116570	/nfs/dbraw/zinc/11/65/70/530116570.db2.gz	PBTLGLJEALMCCV-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
O=C(C(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1)N1CCOCC1	ZINC000270577271	1075551517	/nfs/dbraw/zinc/55/15/17/1075551517.db2.gz	PSKQKANUXCAMBP-UHFFFAOYSA-N	0	0	393.400	-1.241	20	5		GABDRN
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1	ZINC000270609456	1075551421	/nfs/dbraw/zinc/55/14/21/1075551421.db2.gz	NXTXVYLFEOHHTB-UHFFFAOYSA-N	0	0	387.422	-1.432	20	5		GABDRN
CN(C[C@H](O)CO)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000271247446	530140176	/nfs/dbraw/zinc/14/01/76/530140176.db2.gz	GPKXQUZWMCHPIK-VIFPVBQESA-N	0	0	376.391	-1.144	20	5		GABDRN
CN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000271679400	1075555635	/nfs/dbraw/zinc/55/56/35/1075555635.db2.gz	QEKNDZSDOOCFSG-CMPLNLGQSA-N	0	0	380.313	-1.474	20	5		GABDRN
CN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000271679402	1075555578	/nfs/dbraw/zinc/55/55/78/1075555578.db2.gz	QEKNDZSDOOCFSG-JQWIXIFHSA-N	0	0	380.313	-1.474	20	5		GABDRN
CN1C(=O)C(=O)N(CC(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000271679404	1075555607	/nfs/dbraw/zinc/55/56/07/1075555607.db2.gz	QEKNDZSDOOCFSG-PWSUYJOCSA-N	0	0	380.313	-1.474	20	5		GABDRN
CN1C(=O)C(=O)N(CC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000271679406	1075555612	/nfs/dbraw/zinc/55/56/12/1075555612.db2.gz	QEKNDZSDOOCFSG-ZYHUDNBSSA-N	0	0	380.313	-1.474	20	5		GABDRN
Cn1cnn(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O	ZINC000272359238	1074631415	/nfs/dbraw/zinc/63/14/15/1074631415.db2.gz	RWLBHXDKGIBVLK-UHFFFAOYSA-N	0	0	384.374	-1.415	20	5		GABDRN
Cn1cnn(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O	ZINC000272495481	1074632401	/nfs/dbraw/zinc/63/24/01/1074632401.db2.gz	WMIXNZCAIZMNHK-UHFFFAOYSA-N	0	0	384.374	-1.415	20	5		GABDRN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1CCNC(=O)C1	ZINC000272635528	1074634903	/nfs/dbraw/zinc/63/49/03/1074634903.db2.gz	BTLHOQRGLGXJPG-UHFFFAOYSA-N	0	0	375.341	-1.261	20	5		GABDRN
Cc1c(C(=O)NCCN2CCNC(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000272636841	1074634883	/nfs/dbraw/zinc/63/48/83/1074634883.db2.gz	BYFQVFSOGVMVPA-UHFFFAOYSA-N	0	0	385.402	-1.288	20	5		GABDRN
COc1ccc(C(=O)NCC(=O)NCCN2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000272711461	1074644374	/nfs/dbraw/zinc/64/43/74/1074644374.db2.gz	VLNOBGDSUDUMQO-UHFFFAOYSA-N	0	0	379.373	-1.119	20	5		GABDRN
CN(CC(=O)NCCN1CCNC(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000272726691	1074645058	/nfs/dbraw/zinc/64/50/58/1074645058.db2.gz	YWIXZYJNAGBCKF-UHFFFAOYSA-N	0	0	399.429	-1.237	20	5		GABDRN
Cc1cc(C(=O)NCC(=O)N2CCN(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000272821109	1074689420	/nfs/dbraw/zinc/68/94/20/1074689420.db2.gz	LCROCAFDXQZBAN-UHFFFAOYSA-N	0	0	385.402	-1.019	20	5		GABDRN
CC(CO)(CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000273234965	530170148	/nfs/dbraw/zinc/17/01/48/530170148.db2.gz	XROQMBWDTXQJRI-UHFFFAOYSA-N	0	0	376.391	-1.096	20	5		GABDRN
CN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000273290257	1074779373	/nfs/dbraw/zinc/77/93/73/1074779373.db2.gz	MIRSJFVDRDZFHX-UHFFFAOYSA-N	0	0	398.353	-1.095	20	5		GABDRN
COC(=O)[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000273488677	530170824	/nfs/dbraw/zinc/17/08/24/530170824.db2.gz	NJSZNFZJKPYZRQ-NSHDSACASA-N	0	0	375.359	-1.135	20	5		GABDRN
NS(=O)(=O)c1cccc(N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-]	ZINC000273489817	1074786972	/nfs/dbraw/zinc/78/69/72/1074786972.db2.gz	OWIHECSPRSHIDB-UHFFFAOYSA-N	0	0	396.389	-1.423	20	5		GABDRN
O=C(C(=O)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1)N1CCOCC1	ZINC000274913195	1073438696	/nfs/dbraw/zinc/43/86/96/1073438696.db2.gz	VEWUFMFSZZQRDI-UHFFFAOYSA-N	0	0	393.356	-1.161	20	5		GABDRN
COC(=O)[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000275204625	530173493	/nfs/dbraw/zinc/17/34/93/530173493.db2.gz	NJSZNFZJKPYZRQ-LLVKDONJSA-N	0	0	375.359	-1.135	20	5		GABDRN
CNS(=O)(=O)CCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000275792769	530173578	/nfs/dbraw/zinc/17/35/78/530173578.db2.gz	KCINOMONFQKZFV-NEPJUHHUSA-N	0	0	376.391	-1.163	20	5		GABDRN
CNS(=O)(=O)CCNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000275792771	530173289	/nfs/dbraw/zinc/17/32/89/530173289.db2.gz	KCINOMONFQKZFV-NWDGAFQWSA-N	0	0	376.391	-1.163	20	5		GABDRN
CNS(=O)(=O)CCNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000275792775	530092033	/nfs/dbraw/zinc/09/20/33/530092033.db2.gz	KCINOMONFQKZFV-RYUDHWBXSA-N	0	0	376.391	-1.163	20	5		GABDRN
CNS(=O)(=O)CCNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000275792778	530173334	/nfs/dbraw/zinc/17/33/34/530173334.db2.gz	KCINOMONFQKZFV-VXGBXAGGSA-N	0	0	376.391	-1.163	20	5		GABDRN
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1	ZINC000275881201	1073533391	/nfs/dbraw/zinc/53/33/91/1073533391.db2.gz	FYIFLXMRZXJRDB-JTQLQIEISA-N	0	0	391.340	-1.289	20	5		GABDRN
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000275881204	1073533254	/nfs/dbraw/zinc/53/32/54/1073533254.db2.gz	FYIFLXMRZXJRDB-SNVBAGLBSA-N	0	0	391.340	-1.289	20	5		GABDRN
COc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-]	ZINC000275909863	1073535786	/nfs/dbraw/zinc/53/57/86/1073535786.db2.gz	KOQMEUXOPAFXCY-JTQLQIEISA-N	0	0	391.340	-1.289	20	5		GABDRN
COc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000275909864	1073535820	/nfs/dbraw/zinc/53/58/20/1073535820.db2.gz	KOQMEUXOPAFXCY-SNVBAGLBSA-N	0	0	391.340	-1.289	20	5		GABDRN
CNS(=O)(=O)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000275910503	530173442	/nfs/dbraw/zinc/17/34/42/530173442.db2.gz	RLVOKHQRBUTSTB-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
CN(C)C(=O)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000275943989	1073539573	/nfs/dbraw/zinc/53/95/73/1073539573.db2.gz	ZPYUEJFJUUDPSN-UHFFFAOYSA-N	0	0	386.386	-1.311	20	5		GABDRN
CCc1n[nH]c(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1[N+](=O)[O-]	ZINC000276508246	1073566406	/nfs/dbraw/zinc/56/64/06/1073566406.db2.gz	QQUPQGVOLKBKAL-UHFFFAOYSA-N	0	0	392.376	-1.017	20	5		GABDRN
O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000277672948	1073597080	/nfs/dbraw/zinc/59/70/80/1073597080.db2.gz	HVKBFBDKMWDMBR-CMPLNLGQSA-N	0	0	386.386	-1.077	20	5		GABDRN
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000277672955	1073597063	/nfs/dbraw/zinc/59/70/63/1073597063.db2.gz	HVKBFBDKMWDMBR-JQWIXIFHSA-N	0	0	386.386	-1.077	20	5		GABDRN
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000277672960	1073597029	/nfs/dbraw/zinc/59/70/29/1073597029.db2.gz	HVKBFBDKMWDMBR-PWSUYJOCSA-N	0	0	386.386	-1.077	20	5		GABDRN
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O=C1[C@H]2CNC(=O)CN2C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000348580502	1074625748	/nfs/dbraw/zinc/62/57/48/1074625748.db2.gz	ZXMFBZMSIBDZET-SNVBAGLBSA-N	0	0	397.369	-1.364	20	5		GABDRN
NS(=O)(=O)c1cccc(N2CCCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-]	ZINC000363989895	530084791	/nfs/dbraw/zinc/08/47/91/530084791.db2.gz	ZZDOTJTURVSBPH-UHFFFAOYSA-N	0	0	379.420	-1.042	20	5		GABDRN
NS(=O)(=O)c1ccc(N2CCCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1	ZINC000364742852	637491660	/nfs/dbraw/zinc/49/16/60/637491660.db2.gz	MYVBGWKBEPTKDZ-UHFFFAOYSA-N	0	0	379.420	-1.042	20	5		GABDRN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000375240603	1075672403	/nfs/dbraw/zinc/67/24/03/1075672403.db2.gz	ITRPFZWRRDNMKD-NEPJUHHUSA-N	0	0	385.402	-1.200	20	5		GABDRN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000375240606	1075672465	/nfs/dbraw/zinc/67/24/65/1075672465.db2.gz	ITRPFZWRRDNMKD-NWDGAFQWSA-N	0	0	385.402	-1.200	20	5		GABDRN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	ZINC000375240609	1075672416	/nfs/dbraw/zinc/67/24/16/1075672416.db2.gz	ITRPFZWRRDNMKD-RYUDHWBXSA-N	0	0	385.402	-1.200	20	5		GABDRN
Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1	ZINC000375240615	1075672722	/nfs/dbraw/zinc/67/27/22/1075672722.db2.gz	ITRPFZWRRDNMKD-VXGBXAGGSA-N	0	0	385.402	-1.200	20	5		GABDRN
NC(=O)CN1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1=O	ZINC000414117509	1073765121	/nfs/dbraw/zinc/76/51/21/1073765121.db2.gz	ZSKWTKBQHHRTKN-GFCCVEGCSA-N	0	0	375.341	-1.144	20	5		GABDRN
NC(=O)CN1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1=O	ZINC000414117510	1073765140	/nfs/dbraw/zinc/76/51/40/1073765140.db2.gz	ZSKWTKBQHHRTKN-LBPRGKRZSA-N	0	0	375.341	-1.144	20	5		GABDRN
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CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N1CCNC(=O)C1	ZINC000421018335	1074025789	/nfs/dbraw/zinc/02/57/89/1074025789.db2.gz	MJIGFVPIWDBBME-UHFFFAOYSA-N	0	0	399.429	-1.237	20	5		GABDRN
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cn1ncn(C)c1=O	ZINC000421983050	1074029212	/nfs/dbraw/zinc/02/92/12/1074029212.db2.gz	HXLPMDBXUQYCHN-UHFFFAOYSA-N	0	0	398.401	-1.073	20	5		GABDRN
CNS(=O)(=O)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000421984366	530172803	/nfs/dbraw/zinc/17/28/03/530172803.db2.gz	ISPZLVSEYHGSQI-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CC(=O)NC1=O	ZINC000421996668	1074029161	/nfs/dbraw/zinc/02/91/61/1074029161.db2.gz	VTMZHVLQAWDVMZ-UHFFFAOYSA-N	0	0	399.385	-1.117	20	5		GABDRN
CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1	ZINC000427509227	1074164682	/nfs/dbraw/zinc/16/46/82/1074164682.db2.gz	KLSIRCUFTINDDX-UHFFFAOYSA-N	0	0	394.388	-1.046	20	5		GABDRN
CS(=O)(=O)N1CCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000427795201	530173302	/nfs/dbraw/zinc/17/33/02/530173302.db2.gz	GAPCLYALRMZDSU-UHFFFAOYSA-N	0	0	382.424	-1.797	20	5		GABDRN
CN(C)S(=O)(=O)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000428137122	530173153	/nfs/dbraw/zinc/17/31/53/530173153.db2.gz	WVDLFHPELKGSON-UHFFFAOYSA-N	0	0	380.404	-1.137	20	5		GABDRN
CCn1cc(S(=O)(=O)NCCNS(=O)(=O)NC(C)C)c([N+](=O)[O-])n1	ZINC000428401032	530173641	/nfs/dbraw/zinc/17/36/41/530173641.db2.gz	QBTNOCYRVWSRFE-UHFFFAOYSA-N	0	0	384.440	-1.078	20	5		GABDRN
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000428715249	1074350984	/nfs/dbraw/zinc/35/09/84/1074350984.db2.gz	VPWQBNWTXWWAMU-UHFFFAOYSA-N	0	0	390.422	-1.258	20	5		GABDRN
COC(=O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000429491048	530173158	/nfs/dbraw/zinc/17/31/58/530173158.db2.gz	NVVKVEQDOANNNG-LLVKDONJSA-N	0	0	375.359	-1.087	20	5		GABDRN
COC(=O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000429491056	530173608	/nfs/dbraw/zinc/17/36/08/530173608.db2.gz	NVVKVEQDOANNNG-NSHDSACASA-N	0	0	375.359	-1.087	20	5		GABDRN
O=C(CN1CCNCC1=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000430305795	1073449540	/nfs/dbraw/zinc/44/95/40/1073449540.db2.gz	QIICQMMUJWWZLK-UHFFFAOYSA-N	0	0	385.402	-1.579	20	5		GABDRN
O=C(CN1CCNCC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000430404230	1073454220	/nfs/dbraw/zinc/45/42/20/1073454220.db2.gz	WLGSITJNPTVKTL-UHFFFAOYSA-N	0	0	385.402	-1.579	20	5		GABDRN
COCCCS(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000432705532	530074192	/nfs/dbraw/zinc/07/41/92/530074192.db2.gz	GOMVKSQZDSXTBY-UHFFFAOYSA-N	0	0	376.395	-1.303	20	5		GABDRN
CN1CCN(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O	ZINC000436307105	1074092112	/nfs/dbraw/zinc/09/21/12/1074092112.db2.gz	JVYZGXXRJPNYKP-UHFFFAOYSA-N	0	0	399.429	-1.237	20	5		GABDRN
CN1CCN(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000436308148	1074092423	/nfs/dbraw/zinc/09/24/23/1074092423.db2.gz	PACCUEGYXHTMAU-UHFFFAOYSA-N	0	0	399.429	-1.237	20	5		GABDRN
O=C(CN1CCOCC1)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000438781351	1074121592	/nfs/dbraw/zinc/12/15/92/1074121592.db2.gz	KXEXHICYRSXMNK-HNNXBMFYSA-N	0	0	382.421	-1.371	20	5		GABDRN
O=C(CN1CCOCC1)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000438781352	1074122467	/nfs/dbraw/zinc/12/24/67/1074122467.db2.gz	KXEXHICYRSXMNK-OAHLLOKOSA-N	0	0	382.421	-1.371	20	5		GABDRN
NC(=O)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000438882412	1074194773	/nfs/dbraw/zinc/19/47/73/1074194773.db2.gz	JLWJVFIRGPOVQC-GFCCVEGCSA-N	0	0	385.402	-1.370	20	5		GABDRN
NC(=O)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000438882413	1074194819	/nfs/dbraw/zinc/19/48/19/1074194819.db2.gz	JLWJVFIRGPOVQC-LBPRGKRZSA-N	0	0	385.402	-1.370	20	5		GABDRN
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CNS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000440159194	530103138	/nfs/dbraw/zinc/10/31/38/530103138.db2.gz	PQFUFLMLTMWGKV-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
CNS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000440163616	530103325	/nfs/dbraw/zinc/10/33/25/530103325.db2.gz	ZSRMWUBGPWBLRF-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
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CN1CCN(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O	ZINC000444031706	1074226247	/nfs/dbraw/zinc/22/62/47/1074226247.db2.gz	NMZBARGVFPGOBC-UHFFFAOYSA-N	0	0	399.429	-1.237	20	5		GABDRN
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NC(=O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O	ZINC000458044385	1073576630	/nfs/dbraw/zinc/57/66/30/1073576630.db2.gz	LUGQYUGTGUBOIG-UHFFFAOYSA-N	0	0	389.324	-1.653	20	5		GABDRN
Cc1cc(C(=O)NCC(=O)N2CCN(CC(N)=O)C(=O)C2)ccc1[N+](=O)[O-]	ZINC000458047966	1073577721	/nfs/dbraw/zinc/57/77/21/1073577721.db2.gz	QRMCBQFYEPTSLP-UHFFFAOYSA-N	0	0	377.357	-1.211	20	5		GABDRN
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000458054450	1073579777	/nfs/dbraw/zinc/57/97/77/1073579777.db2.gz	UVXWCXURWFWKAK-JTQLQIEISA-N	0	0	381.393	-1.017	20	5		GABDRN
CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(CC(N)=O)C(=O)C1	ZINC000458054457	1073580004	/nfs/dbraw/zinc/58/00/04/1073580004.db2.gz	UVXWCXURWFWKAK-SNVBAGLBSA-N	0	0	381.393	-1.017	20	5		GABDRN
NC(=O)CN1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1=O	ZINC000459695010	1074308465	/nfs/dbraw/zinc/30/84/65/1074308465.db2.gz	JBYYKEBTHWTKPC-UHFFFAOYSA-N	0	0	379.329	-1.109	20	5		GABDRN
NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1	ZINC000459844332	1074311671	/nfs/dbraw/zinc/31/16/71/1074311671.db2.gz	GTXIUWSWVQOBCK-AWEZNQCLSA-N	0	0	391.384	-1.044	20	5		GABDRN
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COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000468671073	1075681954	/nfs/dbraw/zinc/68/19/54/1075681954.db2.gz	XEUUNHJMJQGFSF-NSHDSACASA-N	0	0	392.324	-1.180	20	5		GABDRN
Cc1c(C(=O)N2CCN(CC(N)=O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000468748169	1075682200	/nfs/dbraw/zinc/68/22/00/1075682200.db2.gz	NRAJYCFCEGFDFT-UHFFFAOYSA-N	0	0	385.402	-1.206	20	5		GABDRN
CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2	ZINC000469488089	1075685106	/nfs/dbraw/zinc/68/51/06/1075685106.db2.gz	OSMPGFLWIOUVRG-UHFFFAOYSA-N	0	0	391.344	-1.202	20	5		GABDRN
Cc1n[nH]c(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1[N+](=O)[O-]	ZINC000469891757	1075686601	/nfs/dbraw/zinc/68/66/01/1075686601.db2.gz	TZLMFNYIAOTTFA-UHFFFAOYSA-N	0	0	378.349	-1.271	20	5		GABDRN
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CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000477122330	1073562751	/nfs/dbraw/zinc/56/27/51/1073562751.db2.gz	PRSVWYJMZLVLKS-JTQLQIEISA-N	0	0	397.413	-1.008	20	5		GABDRN
CN(C)S(=O)(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000477122337	1073562721	/nfs/dbraw/zinc/56/27/21/1073562721.db2.gz	PRSVWYJMZLVLKS-SNVBAGLBSA-N	0	0	397.413	-1.008	20	5		GABDRN
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COC(=O)[C@@H]1CNC(=O)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000487557233	1074472026	/nfs/dbraw/zinc/47/20/26/1074472026.db2.gz	JCOJVJMLPWWGKQ-JTQLQIEISA-N	0	0	390.308	-1.309	20	5		GABDRN
COC(=O)[C@H]1CNC(=O)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000487557239	1074472011	/nfs/dbraw/zinc/47/20/11/1074472011.db2.gz	JCOJVJMLPWWGKQ-SNVBAGLBSA-N	0	0	390.308	-1.309	20	5		GABDRN
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COC(=O)[C@@H](O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000490010810	530174112	/nfs/dbraw/zinc/17/41/12/530174112.db2.gz	CECGOPNSFJOJGU-NSHDSACASA-N	0	0	375.359	-1.087	20	5		GABDRN
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O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCNC(=O)C1	ZINC000512466041	1073960597	/nfs/dbraw/zinc/96/05/97/1073960597.db2.gz	OGPQJKDUEADQAO-UHFFFAOYSA-N	0	0	399.429	-1.189	20	5		GABDRN
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CCNC(=O)C1	ZINC000512478098	1073963701	/nfs/dbraw/zinc/96/37/01/1073963701.db2.gz	SPLGBPHRDSNGAE-UHFFFAOYSA-N	0	0	399.429	-1.189	20	5		GABDRN
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCNC(=O)C1	ZINC000512488164	1073966524	/nfs/dbraw/zinc/96/65/24/1073966524.db2.gz	DXVMWSQKBWJCRP-UHFFFAOYSA-N	0	0	378.389	-1.058	20	5		GABDRN
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CS(=O)(=O)c1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-]	ZINC000513578009	530078420	/nfs/dbraw/zinc/07/84/20/530078420.db2.gz	XHUMPBOVWQNGJU-UHFFFAOYSA-N	0	0	392.415	-1.040	20	5		GABDRN
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C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000518413915	1074125738	/nfs/dbraw/zinc/12/57/38/1074125738.db2.gz	QGAQQSKKZXFGLG-GFCCVEGCSA-N	0	0	381.393	-1.422	20	5		GABDRN
C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000518413916	1074125942	/nfs/dbraw/zinc/12/59/42/1074125942.db2.gz	QGAQQSKKZXFGLG-LBPRGKRZSA-N	0	0	381.393	-1.422	20	5		GABDRN
CS(=O)(=O)NCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000518650661	530094947	/nfs/dbraw/zinc/09/49/47/530094947.db2.gz	URVQWQAEAXSEBS-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
COC(=O)CNC(=O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000518804134	1074136716	/nfs/dbraw/zinc/13/67/16/1074136716.db2.gz	KZILSJIFKRBMAF-UHFFFAOYSA-N	0	0	389.342	-1.067	20	5		GABDRN
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O=C(CN1CCC(=O)NC1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000522583730	1074219170	/nfs/dbraw/zinc/21/91/70/1074219170.db2.gz	REQJVTIEDAVBLU-UHFFFAOYSA-N	0	0	399.385	-1.069	20	5		GABDRN
O=C(Cn1ccc(=O)[nH]c1=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000523976575	1074243863	/nfs/dbraw/zinc/24/38/63/1074243863.db2.gz	MDDBTAZDFUAPES-UHFFFAOYSA-N	0	0	397.369	-1.048	20	5		GABDRN
NS(=O)(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1	ZINC000523980117	1074243826	/nfs/dbraw/zinc/24/38/26/1074243826.db2.gz	XDDHBSGTTOJICE-UHFFFAOYSA-N	0	0	399.385	-1.332	20	5		GABDRN
O=C(c1ccc(C(=O)N2CCNC(=O)C2)c([N+](=O)[O-])c1)N1CCNC(=O)C1	ZINC000524353747	1074245904	/nfs/dbraw/zinc/24/59/04/1074245904.db2.gz	KUCMMKFAXMXHIX-UHFFFAOYSA-N	0	0	375.341	-1.261	20	5		GABDRN
CN(CC(=O)NCCS(N)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000524588775	530172814	/nfs/dbraw/zinc/17/28/14/530172814.db2.gz	WCGOAXYTNIQCAO-UHFFFAOYSA-N	0	0	380.404	-1.380	20	5		GABDRN
NS(=O)(=O)CCN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1	ZINC000530774903	530173274	/nfs/dbraw/zinc/17/32/74/530173274.db2.gz	NYHTZJQMXZLREE-UHFFFAOYSA-N	0	0	379.420	-1.415	20	5		GABDRN
NC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000531838884	1074275661	/nfs/dbraw/zinc/27/56/61/1074275661.db2.gz	VOBQZMRMCOHQMK-UHFFFAOYSA-N	0	0	399.429	-1.107	20	5		GABDRN
COc1ccc(C(=O)NCC(=O)N2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-]	ZINC000531838974	1074275682	/nfs/dbraw/zinc/27/56/82/1074275682.db2.gz	KUWDNIDRAOSBHY-UHFFFAOYSA-N	0	0	379.373	-1.037	20	5		GABDRN
NC(=O)CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1	ZINC000532095977	1074276649	/nfs/dbraw/zinc/27/66/49/1074276649.db2.gz	ZXZUUSJQROSKNL-UHFFFAOYSA-N	0	0	377.357	-1.050	20	5		GABDRN
CCn1cc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)c([N+](=O)[O-])n1	ZINC000532853633	1074292661	/nfs/dbraw/zinc/29/26/61/1074292661.db2.gz	MIEPXDKCEGTJAM-SECBINFHSA-N	0	0	388.406	-1.174	20	5		GABDRN
CCn1cc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)c([N+](=O)[O-])n1	ZINC000532853634	1074292782	/nfs/dbraw/zinc/29/27/82/1074292782.db2.gz	MIEPXDKCEGTJAM-VIFPVBQESA-N	0	0	388.406	-1.174	20	5		GABDRN
CCn1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c([N+](=O)[O-])n1	ZINC000532854389	530173376	/nfs/dbraw/zinc/17/33/76/530173376.db2.gz	HIWBRLNSHQAAMN-MRVPVSSYSA-N	0	0	375.363	-1.137	20	5		GABDRN
CCn1cc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)c([N+](=O)[O-])n1	ZINC000532854397	530173413	/nfs/dbraw/zinc/17/34/13/530173413.db2.gz	HIWBRLNSHQAAMN-QMMMGPOBSA-N	0	0	375.363	-1.137	20	5		GABDRN
O=C(CN1CCNC(=O)C1)Nc1cc(N2CCNC(=O)C2)ccc1[N+](=O)[O-]	ZINC000533215603	1074295385	/nfs/dbraw/zinc/29/53/85/1074295385.db2.gz	UZWQFNZOAOCEHB-UHFFFAOYSA-N	0	0	376.373	-1.099	20	5		GABDRN
Cc1nc(N2CCN(CCO)CC2)nc(N2CCN(CCO)CC2)c1[N+](=O)[O-]	ZINC000535628650	1073442271	/nfs/dbraw/zinc/44/22/71/1073442271.db2.gz	AGWGRZAMFMLKMA-UHFFFAOYSA-N	0	0	395.464	-1.078	20	5		GABDRN
CN(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000542327111	530093710	/nfs/dbraw/zinc/09/37/10/530093710.db2.gz	YVVJXBMQBBHORI-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
CN(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000543291688	530098822	/nfs/dbraw/zinc/09/88/22/530098822.db2.gz	UPCNCZVODXQVSR-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
COC(=O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000543566327	530099694	/nfs/dbraw/zinc/09/96/94/530099694.db2.gz	XCGYMZLIKSNLDC-NSHDSACASA-N	0	0	375.359	-1.087	20	5		GABDRN
CN(C)S(=O)(=O)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000544198356	530101083	/nfs/dbraw/zinc/10/10/83/530101083.db2.gz	YYMYTAVCXWDKBL-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000544722341	1075677089	/nfs/dbraw/zinc/67/70/89/1075677089.db2.gz	JDFKEVFYRVBFHW-UHFFFAOYSA-N	0	0	392.372	-1.285	20	5		GABDRN
NS(=O)(=O)CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1	ZINC000546759328	530103744	/nfs/dbraw/zinc/10/37/44/530103744.db2.gz	HHIKQNIWUVZAID-UHFFFAOYSA-N	0	0	393.447	-1.347	20	5		GABDRN
Nc1nccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-]	ZINC000548384222	1073573151	/nfs/dbraw/zinc/57/31/51/1073573151.db2.gz	FEFURWVXFPBGHX-UHFFFAOYSA-N	0	0	392.372	-1.285	20	5		GABDRN
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1	ZINC000548410676	1073575646	/nfs/dbraw/zinc/57/56/46/1073575646.db2.gz	LUBYVRLUQUWQJK-UHFFFAOYSA-N	0	0	387.422	-1.432	20	5		GABDRN
CNS(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000550155323	1074155042	/nfs/dbraw/zinc/15/50/42/1074155042.db2.gz	LRDADUPZOFYKQQ-UHFFFAOYSA-N	0	0	385.402	-1.067	20	5		GABDRN
C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC000550201660	1074156150	/nfs/dbraw/zinc/15/61/50/1074156150.db2.gz	DZGGOODEDYCTOC-SECBINFHSA-N	0	0	386.386	-1.093	20	5		GABDRN
C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC000550201661	1074156161	/nfs/dbraw/zinc/15/61/61/1074156161.db2.gz	DZGGOODEDYCTOC-VIFPVBQESA-N	0	0	386.386	-1.093	20	5		GABDRN
COC(=O)CNC(=O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000551929376	1073588200	/nfs/dbraw/zinc/58/82/00/1073588200.db2.gz	DVXBBGHTIQKQGK-UHFFFAOYSA-N	0	0	380.313	-1.274	20	5		GABDRN
NC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000552160199	1074369037	/nfs/dbraw/zinc/36/90/37/1074369037.db2.gz	CCJVJEWSLOQYSY-UHFFFAOYSA-N	0	0	399.429	-1.107	20	5		GABDRN
CNc1nccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1[N+](=O)[O-]	ZINC000553555871	1074876552	/nfs/dbraw/zinc/87/65/52/1074876552.db2.gz	DEFPILVRTORVGW-UHFFFAOYSA-N	0	0	396.389	-0.704	20	5		GABDRN
COC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000553846287	1074786691	/nfs/dbraw/zinc/78/66/91/1074786691.db2.gz	DUYJUBXJVDNSGM-UHFFFAOYSA-N	0	0	382.329	-1.261	20	5		GABDRN
CN(CC(=O)N1CC[C@@](O)(C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000557011481	1074674196	/nfs/dbraw/zinc/67/41/96/1074674196.db2.gz	JDCRVKXZJXUDLP-AWEZNQCLSA-N	0	0	386.386	-1.336	20	5		GABDRN
CN(CC(=O)N1CC[C@](O)(C(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000557011486	1074674227	/nfs/dbraw/zinc/67/42/27/1074674227.db2.gz	JDCRVKXZJXUDLP-CQSZACIVSA-N	0	0	386.386	-1.336	20	5		GABDRN
COC(=O)CNC(=O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000557826743	1075696303	/nfs/dbraw/zinc/69/63/03/1075696303.db2.gz	GFRUOTDNTUIPLK-UHFFFAOYSA-N	0	0	378.297	-1.404	20	5		GABDRN
CNS(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000558019153	1075696984	/nfs/dbraw/zinc/69/69/84/1075696984.db2.gz	LEFIGOLAIJOCSF-UHFFFAOYSA-N	0	0	385.402	-1.067	20	5		GABDRN
CN1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O	ZINC000560631176	1074583141	/nfs/dbraw/zinc/58/31/41/1074583141.db2.gz	YHEJPEAFYYDZBF-UHFFFAOYSA-N	0	0	376.373	-1.061	20	5		GABDRN
CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)NC)CC2)c([N+](=O)[O-])n1	ZINC000561550733	637493786	/nfs/dbraw/zinc/49/37/86/637493786.db2.gz	AORWPZUFAICPIG-UHFFFAOYSA-N	0	0	382.424	-1.418	20	5		GABDRN
C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC(=O)N1	ZINC000562691414	1075718800	/nfs/dbraw/zinc/71/88/00/1075718800.db2.gz	JVJYVDQDQIVPDH-LLVKDONJSA-N	0	0	376.373	-1.015	20	5		GABDRN
C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC(=O)N1	ZINC000562691415	1075718851	/nfs/dbraw/zinc/71/88/51/1075718851.db2.gz	JVJYVDQDQIVPDH-NSHDSACASA-N	0	0	376.373	-1.015	20	5		GABDRN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000563113844	1073581416	/nfs/dbraw/zinc/58/14/16/1073581416.db2.gz	WJZFUWNAOZRGKB-UHFFFAOYSA-N	0	0	386.434	-1.064	20	5		GABDRN
CNC(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1	ZINC000563500454	1075722850	/nfs/dbraw/zinc/72/28/50/1075722850.db2.gz	JSJGZAVYFNBBCX-UHFFFAOYSA-N	0	0	385.402	-1.254	20	5		GABDRN
CNc1nccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-]	ZINC000563710523	1075723724	/nfs/dbraw/zinc/72/37/24/1075723724.db2.gz	YTJFUWBBJIHAHF-UHFFFAOYSA-N	0	0	375.349	-0.997	20	5		GABDRN
Nc1nccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1[N+](=O)[O-]	ZINC000565179559	1074890517	/nfs/dbraw/zinc/89/05/17/1074890517.db2.gz	GNTJCGBKRKCKGT-UHFFFAOYSA-N	0	0	390.356	-0.995	20	5		GABDRN
CNS(=O)(=O)NCC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21	ZINC000565199429	1074875850	/nfs/dbraw/zinc/87/58/50/1074875850.db2.gz	LDEHHFFKVSIEOP-UHFFFAOYSA-N	0	0	397.417	-0.490	20	5		GABDRN
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000565212640	1075729650	/nfs/dbraw/zinc/72/96/50/1075729650.db2.gz	JRLZNUCNESRAPE-MWLCHTKSSA-N	0	0	385.354	-1.406	20	5		GABDRN
CNS(=O)(=O)NCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000566404433	530084809	/nfs/dbraw/zinc/08/48/09/530084809.db2.gz	RJPKLURVRJFNKA-UHFFFAOYSA-N	0	0	380.404	-1.462	20	5		GABDRN
CNc1nccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-]	ZINC000567483710	1074876480	/nfs/dbraw/zinc/87/64/80/1074876480.db2.gz	ACYFBLUGTGWUAG-NEPJUHHUSA-N	0	0	399.429	-0.741	20	5		GABDRN
CNc1nccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-]	ZINC000567483711	1075737897	/nfs/dbraw/zinc/73/78/97/1075737897.db2.gz	ACYFBLUGTGWUAG-NWDGAFQWSA-N	0	0	399.429	-0.741	20	5		GABDRN
CNc1nccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-]	ZINC000567483712	1074876511	/nfs/dbraw/zinc/87/65/11/1074876511.db2.gz	ACYFBLUGTGWUAG-RYUDHWBXSA-N	0	0	399.429	-0.741	20	5		GABDRN
CNc1nccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-]	ZINC000567483713	1075737935	/nfs/dbraw/zinc/73/79/35/1075737935.db2.gz	ACYFBLUGTGWUAG-VXGBXAGGSA-N	0	0	399.429	-0.741	20	5		GABDRN
CNS(=O)(=O)NCC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21	ZINC000567594775	1074876200	/nfs/dbraw/zinc/87/62/00/1074876200.db2.gz	FQGJDVSTYCHXOS-UHFFFAOYSA-N	0	0	383.390	-0.880	20	5		GABDRN
CNc1nccc(C(=O)N2CCN(CC(=O)NCCOC)CC2)c1[N+](=O)[O-]	ZINC000568530336	1074876232	/nfs/dbraw/zinc/87/62/32/1074876232.db2.gz	UZTVOQILLCOSGA-UHFFFAOYSA-N	0	0	380.405	-0.448	20	5		GABDRN
CC(C)(C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)n1cc([N+](=O)[O-])cn1	ZINC000571443628	1075748867	/nfs/dbraw/zinc/74/88/67/1075748867.db2.gz	JBICEBUSPZANBY-UHFFFAOYSA-N	0	0	386.434	-1.028	20	5		GABDRN
CS(=O)(=O)c1ccc(NCCNC(=O)CN2CCNCC2=O)c([N+](=O)[O-])c1	ZINC000571518772	1075748923	/nfs/dbraw/zinc/74/89/23/1075748923.db2.gz	JUPWQBYIOYZEOO-UHFFFAOYSA-N	0	0	399.429	-1.042	20	5		GABDRN
C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000572098082	1075750068	/nfs/dbraw/zinc/75/00/68/1075750068.db2.gz	AVQSSCUUPXFVOG-LLVKDONJSA-N	0	0	376.373	-1.015	20	5		GABDRN
C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000572098083	1075750136	/nfs/dbraw/zinc/75/01/36/1075750136.db2.gz	AVQSSCUUPXFVOG-NSHDSACASA-N	0	0	376.373	-1.015	20	5		GABDRN
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000576121016	1075756383	/nfs/dbraw/zinc/75/63/83/1075756383.db2.gz	WUEGGZKQNNVMDK-VXGBXAGGSA-N	0	0	386.386	-1.332	20	5		GABDRN
NC(=O)CN1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1=O	ZINC000576123921	1075756713	/nfs/dbraw/zinc/75/67/13/1075756713.db2.gz	OLAADIOBAGEJCM-UHFFFAOYSA-N	0	0	389.368	-1.364	20	5		GABDRN
NC(=O)c1ccnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-]	ZINC000576201143	1075756698	/nfs/dbraw/zinc/75/66/98/1075756698.db2.gz	OFGNWLHCPGCZPQ-UHFFFAOYSA-N	0	0	392.372	-1.404	20	5		GABDRN
CCn1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)OC)c([N+](=O)[O-])n1	ZINC000576457768	1075757572	/nfs/dbraw/zinc/75/75/72/1075757572.db2.gz	JCCGFZHTTHJNIO-JTQLQIEISA-N	0	0	391.406	-1.037	20	5		GABDRN
CCn1cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)OC)c([N+](=O)[O-])n1	ZINC000576457785	1075757659	/nfs/dbraw/zinc/75/76/59/1075757659.db2.gz	JCCGFZHTTHJNIO-SNVBAGLBSA-N	0	0	391.406	-1.037	20	5		GABDRN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000577123349	1075759883	/nfs/dbraw/zinc/75/98/83/1075759883.db2.gz	IXTNDONXHNMDCK-PSASIEDQSA-N	0	0	383.338	-1.535	20	5		GABDRN
COc1ccc(C(=O)NCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1[N+](=O)[O-]	ZINC000579730172	1073400087	/nfs/dbraw/zinc/40/00/87/1073400087.db2.gz	BBFLVZKCSDWOIO-MWLCHTKSSA-N	0	0	387.370	-1.393	20	5		GABDRN
CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000580002945	530081080	/nfs/dbraw/zinc/08/10/80/530081080.db2.gz	XWGMJRAGQFXWHA-JTQLQIEISA-N	0	0	375.411	-1.037	20	5		GABDRN
CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000580002946	530081149	/nfs/dbraw/zinc/08/11/49/530081149.db2.gz	XWGMJRAGQFXWHA-SNVBAGLBSA-N	0	0	375.411	-1.037	20	5		GABDRN
O=C(CN1CCNCC1=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000580187283	1073528396	/nfs/dbraw/zinc/52/83/96/1073528396.db2.gz	LMTQTEMZGAOUHQ-UHFFFAOYSA-N	0	0	385.402	-1.579	20	5		GABDRN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC(S(=O)(=O)N2CCNCC2)C1	ZINC000580554280	1073760366	/nfs/dbraw/zinc/76/03/66/1073760366.db2.gz	QYDVQJXXVCJKJB-UHFFFAOYSA-N	0	0	385.402	-1.798	20	5		GABDRN
CN(CC(=O)N[C@@]1(C(N)=O)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000580784413	1073541614	/nfs/dbraw/zinc/54/16/14/1073541614.db2.gz	VKKQKRQSAQFPIP-AWEZNQCLSA-N	0	0	386.386	-1.024	20	5		GABDRN
CN(CC(=O)N[C@]1(C(N)=O)CCOC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000580784415	1073541242	/nfs/dbraw/zinc/54/12/42/1073541242.db2.gz	VKKQKRQSAQFPIP-CQSZACIVSA-N	0	0	386.386	-1.024	20	5		GABDRN
CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2	ZINC000581021430	1073548030	/nfs/dbraw/zinc/54/80/30/1073548030.db2.gz	SHCNXIRQDHUUKT-UHFFFAOYSA-N	0	0	390.360	-1.326	20	5		GABDRN
CN1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1=O	ZINC000591005801	1074505838	/nfs/dbraw/zinc/50/58/38/1074505838.db2.gz	BWMCEWSWFCZSBX-UHFFFAOYSA-N	0	0	376.373	-1.061	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2n(n1)CCCN2	ZINC000591602839	1074520856	/nfs/dbraw/zinc/52/08/56/1074520856.db2.gz	DNCIPXFORHHQQC-UHFFFAOYSA-N	0	0	395.401	-1.032	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc2n(n1)CCCN2	ZINC000591603120	1074520876	/nfs/dbraw/zinc/52/08/76/1074520876.db2.gz	WCVXBTCNFUUVMY-UHFFFAOYSA-N	0	0	395.401	-1.032	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2n(n1)CCCN2	ZINC000591615947	1074520976	/nfs/dbraw/zinc/52/09/76/1074520976.db2.gz	HDDWXDLUEHEZSU-UHFFFAOYSA-N	0	0	395.401	-1.032	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)N1	ZINC000593421509	530135986	/nfs/dbraw/zinc/13/59/86/530135986.db2.gz	REJKADMUHXZADK-LLVKDONJSA-N	0	0	392.415	-1.319	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)N1	ZINC000593421517	530135865	/nfs/dbraw/zinc/13/58/65/530135865.db2.gz	REJKADMUHXZADK-NSHDSACASA-N	0	0	392.415	-1.319	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)N1	ZINC000593424269	530135968	/nfs/dbraw/zinc/13/59/68/530135968.db2.gz	WLEPCSWVYWMTBM-LLVKDONJSA-N	0	0	392.415	-1.319	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)N1	ZINC000593424270	530135769	/nfs/dbraw/zinc/13/57/69/530135769.db2.gz	WLEPCSWVYWMTBM-NSHDSACASA-N	0	0	392.415	-1.319	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)N1	ZINC000593474682	530136007	/nfs/dbraw/zinc/13/60/07/530136007.db2.gz	GUHKAYSFGHVEES-SECBINFHSA-N	0	0	392.415	-1.319	20	5		GABDRN
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)N1	ZINC000593474684	530135690	/nfs/dbraw/zinc/13/56/90/530135690.db2.gz	GUHKAYSFGHVEES-VIFPVBQESA-N	0	0	392.415	-1.319	20	5		GABDRN
CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC000593536231	530136505	/nfs/dbraw/zinc/13/65/05/530136505.db2.gz	WCVYOBDXYQIREB-UHFFFAOYSA-N	0	0	393.447	-1.155	20	5		GABDRN
NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1	ZINC000593551303	530136533	/nfs/dbraw/zinc/13/65/33/530136533.db2.gz	CEOPIHFYHKZBBL-UHFFFAOYSA-N	0	0	379.420	-1.415	20	5		GABDRN
CNS(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000593893476	530138180	/nfs/dbraw/zinc/13/81/80/530138180.db2.gz	IVWGRFKQNNUPGS-UHFFFAOYSA-N	0	0	391.431	-1.006	20	5		GABDRN
Cc1nn(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n1C	ZINC000593968769	1074582157	/nfs/dbraw/zinc/58/21/57/1074582157.db2.gz	ZHHUBPGZEYXDPO-UHFFFAOYSA-N	0	0	398.401	-1.107	20	5		GABDRN
Cc1nn(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)n1C	ZINC000593969212	1074582391	/nfs/dbraw/zinc/58/23/91/1074582391.db2.gz	XYPNITVUEYDSMJ-UHFFFAOYSA-N	0	0	398.401	-1.107	20	5		GABDRN
Cc1nn(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)n1C	ZINC000593981417	1074582359	/nfs/dbraw/zinc/58/23/59/1074582359.db2.gz	JQGSVJQGDIABDI-UHFFFAOYSA-N	0	0	398.401	-1.107	20	5		GABDRN
CNc1nccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-]	ZINC000594246832	1074876639	/nfs/dbraw/zinc/87/66/39/1074876639.db2.gz	WWWVKPTZRYGBIY-UHFFFAOYSA-N	0	0	386.434	-0.662	20	5		GABDRN
NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1	ZINC000594760065	530139958	/nfs/dbraw/zinc/13/99/58/530139958.db2.gz	XSVJZIZDCAQTBK-UHFFFAOYSA-N	0	0	379.420	-1.415	20	5		GABDRN
COC(=O)c1nc(NCC(=O)N(C)C)nc(NCC(=O)N(C)C)c1[N+](=O)[O-]	ZINC000596058630	1074560964	/nfs/dbraw/zinc/56/09/64/1074560964.db2.gz	ODVCOQMNUSLQNM-UHFFFAOYSA-N	0	0	383.365	-1.985	20	5		GABDRN
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC000597500469	1074564788	/nfs/dbraw/zinc/56/47/88/1074564788.db2.gz	LJRAPRVQEQDNHD-MGPQQGTHSA-N	0	0	386.382	-1.103	20	5		GABDRN
CN(C)S(=O)(=O)NCC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000597501003	530144066	/nfs/dbraw/zinc/14/40/66/530144066.db2.gz	QDMBEGHZTZJMCG-UHFFFAOYSA-N	0	0	394.431	-1.119	20	5		GABDRN
NS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCOCC2)cc1[N+](=O)[O-]	ZINC000597616741	1074565374	/nfs/dbraw/zinc/56/53/74/1074565374.db2.gz	LWTOZEUDWPLUTC-LLVKDONJSA-N	0	0	388.402	-1.335	20	5		GABDRN
NS(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCOCC2)cc1[N+](=O)[O-]	ZINC000597616742	1074565290	/nfs/dbraw/zinc/56/52/90/1074565290.db2.gz	LWTOZEUDWPLUTC-NSHDSACASA-N	0	0	388.402	-1.335	20	5		GABDRN
CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-]	ZINC000597625601	1074565346	/nfs/dbraw/zinc/56/53/46/1074565346.db2.gz	DIFZZGVYFMCWDU-LLVKDONJSA-N	0	0	395.372	-0.448	20	5		GABDRN
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-]	ZINC000597625602	1074882842	/nfs/dbraw/zinc/88/28/42/1074882842.db2.gz	DIFZZGVYFMCWDU-NSHDSACASA-N	0	0	395.372	-0.448	20	5		GABDRN
CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)NC(=O)N1	ZINC000597790561	1074567239	/nfs/dbraw/zinc/56/72/39/1074567239.db2.gz	YUNRXRDTKSFADR-NSHDSACASA-N	0	0	399.385	-1.070	20	5		GABDRN
O=C1NC[C@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CCN2C1=O	ZINC000598605069	1074569900	/nfs/dbraw/zinc/56/99/00/1074569900.db2.gz	YCACWLYNUHDZGL-JTQLQIEISA-N	0	0	377.361	-1.632	20	5		GABDRN
O=C1NC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CCN2C1=O	ZINC000598605070	1074569737	/nfs/dbraw/zinc/56/97/37/1074569737.db2.gz	YCACWLYNUHDZGL-SNVBAGLBSA-N	0	0	377.361	-1.632	20	5		GABDRN
NS(=O)(=O)CCOCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000598624474	530073481	/nfs/dbraw/zinc/07/34/81/530073481.db2.gz	DNEQTUXOTIBBJX-UHFFFAOYSA-N	0	0	376.395	-1.062	20	5		GABDRN
CNS(=O)(=O)N1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1	ZINC000598624868	1074569535	/nfs/dbraw/zinc/56/95/35/1074569535.db2.gz	JJNJYQLNPIGTNY-UHFFFAOYSA-N	0	0	387.422	-1.192	20	5		GABDRN
NC(=O)CN1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000598902377	1074570416	/nfs/dbraw/zinc/57/04/16/1074570416.db2.gz	DPLJGGYNBVTZKU-UHFFFAOYSA-N	0	0	378.345	-1.128	20	5		GABDRN
COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000598911213	1074571217	/nfs/dbraw/zinc/57/12/17/1074571217.db2.gz	RSKHVHZWTGWKEQ-ONGXEEELSA-N	0	0	394.344	-1.124	20	5		GABDRN
CN1C(=O)CN(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000599156106	1074572920	/nfs/dbraw/zinc/57/29/20/1074572920.db2.gz	SSDNLFACFOQGQV-UHFFFAOYSA-N	0	0	399.385	-1.117	20	5		GABDRN
CN1C(=O)CN(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O	ZINC000599176793	1074572712	/nfs/dbraw/zinc/57/27/12/1074572712.db2.gz	YNRVVLOFOZVQAH-UHFFFAOYSA-N	0	0	399.385	-1.117	20	5		GABDRN
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000599211389	530073092	/nfs/dbraw/zinc/07/30/92/530073092.db2.gz	UPQIIGPZBAOMHA-UHFFFAOYSA-N	0	0	382.424	-1.559	20	5		GABDRN
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)n1	ZINC000599218798	1074573435	/nfs/dbraw/zinc/57/34/35/1074573435.db2.gz	DOIHNXNJOIBBCP-UHFFFAOYSA-N	0	0	386.390	-1.560	20	5		GABDRN
CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000599222687	1074572891	/nfs/dbraw/zinc/57/28/91/1074572891.db2.gz	OLACWNNHDVKCIR-UHFFFAOYSA-N	0	0	388.406	-1.314	20	5		GABDRN
COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599228861	1074573294	/nfs/dbraw/zinc/57/32/94/1074573294.db2.gz	KZRATOMGPIUKSV-UHFFFAOYSA-N	0	0	391.406	-1.176	20	5		GABDRN
CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000599321298	530073444	/nfs/dbraw/zinc/07/34/44/530073444.db2.gz	XNSRAUINNYQVNM-UHFFFAOYSA-N	0	0	396.451	-1.123	20	5		GABDRN
COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599327354	530073148	/nfs/dbraw/zinc/07/31/48/530073148.db2.gz	FZKOSZRDPPPLSH-MRVPVSSYSA-N	0	0	375.363	-1.229	20	5		GABDRN
COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599327359	530073397	/nfs/dbraw/zinc/07/33/97/530073397.db2.gz	FZKOSZRDPPPLSH-QMMMGPOBSA-N	0	0	375.363	-1.229	20	5		GABDRN
CO[C@@H]1CS(=O)(=O)[C@H]2CN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])C[C@H]21	ZINC000599347014	530073196	/nfs/dbraw/zinc/07/31/96/530073196.db2.gz	QEGQELLMPSXCHR-SFGNSQDASA-N	0	0	380.404	-1.239	20	5		GABDRN
CCn1cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])n1	ZINC000599500832	530073477	/nfs/dbraw/zinc/07/34/77/530073477.db2.gz	AJQHPVSPVAXDBF-UHFFFAOYSA-N	0	0	382.424	-1.420	20	5		GABDRN
CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000599506646	530073467	/nfs/dbraw/zinc/07/34/67/530073467.db2.gz	HYJDHTCMQFWDDK-SECBINFHSA-N	0	0	380.404	-1.072	20	5		GABDRN
CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000599506647	530073488	/nfs/dbraw/zinc/07/34/88/530073488.db2.gz	HYJDHTCMQFWDDK-VIFPVBQESA-N	0	0	380.404	-1.072	20	5		GABDRN
CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000599506693	530073324	/nfs/dbraw/zinc/07/33/24/530073324.db2.gz	JDZPZPFBAYYBDZ-SECBINFHSA-N	0	0	380.404	-1.072	20	5		GABDRN
CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000599506694	530073205	/nfs/dbraw/zinc/07/32/05/530073205.db2.gz	JDZPZPFBAYYBDZ-VIFPVBQESA-N	0	0	380.404	-1.072	20	5		GABDRN
CCn1cc(S(=O)(=O)N2CCOC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1	ZINC000599507648	530073474	/nfs/dbraw/zinc/07/34/74/530073474.db2.gz	OKMFMKBXGMXOOT-SECBINFHSA-N	0	0	397.435	-1.250	20	5		GABDRN
CCn1cc(S(=O)(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1	ZINC000599507649	530073288	/nfs/dbraw/zinc/07/32/88/530073288.db2.gz	OKMFMKBXGMXOOT-VIFPVBQESA-N	0	0	397.435	-1.250	20	5		GABDRN
CS(=O)(=O)NC[C@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000599507965	530073322	/nfs/dbraw/zinc/07/33/22/530073322.db2.gz	QRLFMBXJQVONGX-JTQLQIEISA-N	0	0	380.404	-1.072	20	5		GABDRN
CS(=O)(=O)NC[C@@H]1COCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000599507967	530073294	/nfs/dbraw/zinc/07/32/94/530073294.db2.gz	QRLFMBXJQVONGX-SNVBAGLBSA-N	0	0	380.404	-1.072	20	5		GABDRN
CN1C(=O)CN(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000599525386	1074575544	/nfs/dbraw/zinc/57/55/44/1074575544.db2.gz	GWTHMPSBQYYUSH-UHFFFAOYSA-N	0	0	399.385	-1.117	20	5		GABDRN
CN(CC(=O)N1C[C@H](O)C[C@H]1C(N)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000600240772	1074407339	/nfs/dbraw/zinc/40/73/39/1074407339.db2.gz	GXZVREZNRZGMFT-PWSUYJOCSA-N	0	0	386.386	-1.338	20	5		GABDRN
CS(=O)(=O)NC1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1	ZINC000600324155	530074222	/nfs/dbraw/zinc/07/42/22/530074222.db2.gz	DUBMDVFCSMLHCR-UHFFFAOYSA-N	0	0	378.388	-1.384	20	5		GABDRN
CS(=O)(=O)NC1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000600324761	530103211	/nfs/dbraw/zinc/10/32/11/530103211.db2.gz	GVRDOZOCFRYIRO-UHFFFAOYSA-N	0	0	392.415	-1.367	20	5		GABDRN
Cc1c(C(=O)N2CC(NS(C)(=O)=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000600324942	530174138	/nfs/dbraw/zinc/17/41/38/530174138.db2.gz	IYIGZWWIONMXKF-UHFFFAOYSA-N	0	0	392.415	-1.076	20	5		GABDRN
CS(=O)(=O)NC1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1	ZINC000600335321	1074410551	/nfs/dbraw/zinc/41/05/51/1074410551.db2.gz	ANDIVZHVDQZVMW-UHFFFAOYSA-N	0	0	382.354	-1.049	20	5		GABDRN
COC(=O)C[C@@H](O)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000600456220	530173322	/nfs/dbraw/zinc/17/33/22/530173322.db2.gz	IBLXUPUPRZYPJO-SECBINFHSA-N	0	0	375.359	-1.087	20	5		GABDRN
COC(=O)C[C@H](O)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000600456228	530173174	/nfs/dbraw/zinc/17/31/74/530173174.db2.gz	IBLXUPUPRZYPJO-VIFPVBQESA-N	0	0	375.359	-1.087	20	5		GABDRN
CNS(=O)(=O)CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000600664830	530174777	/nfs/dbraw/zinc/17/47/77/530174777.db2.gz	ADPLUIOBHBWVFW-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
NC(=O)C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1	ZINC000600677886	1075761308	/nfs/dbraw/zinc/76/13/08/1075761308.db2.gz	KQOLQYSPKWOPLL-JTQLQIEISA-N	0	0	386.386	-1.024	20	5		GABDRN
NC(=O)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1	ZINC000600677889	1075761227	/nfs/dbraw/zinc/76/12/27/1075761227.db2.gz	KQOLQYSPKWOPLL-SNVBAGLBSA-N	0	0	386.386	-1.024	20	5		GABDRN
CN(C)S(=O)(=O)N1CC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000600711631	1075761313	/nfs/dbraw/zinc/76/13/13/1075761313.db2.gz	SVFNYNGYLDITLX-UHFFFAOYSA-N	0	0	385.402	-1.069	20	5		GABDRN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC000603871830	1074575634	/nfs/dbraw/zinc/57/56/34/1074575634.db2.gz	WREDHHXAXXUKHF-UHFFFAOYSA-N	0	0	390.356	-1.114	20	5		GABDRN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC000604181254	1074577135	/nfs/dbraw/zinc/57/71/35/1074577135.db2.gz	APZUAOPVHKGGRC-UHFFFAOYSA-N	0	0	378.345	-1.389	20	5		GABDRN
CS(=O)(=O)N1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000604529687	1074579045	/nfs/dbraw/zinc/57/90/45/1074579045.db2.gz	QMFHYELZDHSSCM-UHFFFAOYSA-N	0	0	387.418	-1.550	20	5		GABDRN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1	ZINC000604532893	1074578910	/nfs/dbraw/zinc/57/89/10/1074578910.db2.gz	PPDAYUFABIKCPG-UHFFFAOYSA-N	0	0	377.365	-1.153	20	5		GABDRN
CC(C)(C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)n1cc([N+](=O)[O-])cn1	ZINC000608961935	1073438081	/nfs/dbraw/zinc/43/80/81/1073438081.db2.gz	OZTFIWWGCATOSW-UHFFFAOYSA-N	0	0	377.365	-1.116	20	5		GABDRN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCS(=O)(=O)NC[C@@H]1CCCCO1	ZINC000609507718	530072630	/nfs/dbraw/zinc/07/26/30/530072630.db2.gz	KBDDXKJJIQGPGE-JTQLQIEISA-N	0	0	376.395	-1.209	20	5		GABDRN
O=C(Cn1cnc([N+](=O)[O-])n1)NCCS(=O)(=O)NC[C@H]1CCCCO1	ZINC000609507719	530072641	/nfs/dbraw/zinc/07/26/41/530072641.db2.gz	KBDDXKJJIQGPGE-SNVBAGLBSA-N	0	0	376.395	-1.209	20	5		GABDRN
CS(=O)(=O)c1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc([N+](=O)[O-])c1	ZINC000609517119	530072941	/nfs/dbraw/zinc/07/29/41/530072941.db2.gz	MIKHFBPOCZIZKU-UHFFFAOYSA-N	0	0	392.415	-1.040	20	5		GABDRN
CS(=O)(=O)NCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000609736792	530072705	/nfs/dbraw/zinc/07/27/05/530072705.db2.gz	MRLKFOFPZNBZKF-UHFFFAOYSA-N	0	0	394.431	-1.071	20	5		GABDRN
CN1CC(=O)N(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000609736980	1074677984	/nfs/dbraw/zinc/67/79/84/1074677984.db2.gz	SQGFPMCEHWZUPX-UHFFFAOYSA-N	0	0	399.385	-1.117	20	5		GABDRN
CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1	ZINC000610261646	530075202	/nfs/dbraw/zinc/07/52/02/530075202.db2.gz	DKKSXJILSYBVPZ-UHFFFAOYSA-N	0	0	393.447	-1.155	20	5		GABDRN
CS(=O)(=O)N1CCN(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000610864115	1073581518	/nfs/dbraw/zinc/58/15/18/1073581518.db2.gz	YWUUNCALAURBGD-UHFFFAOYSA-N	0	0	389.438	-1.332	20	5		GABDRN
CN(C)S(=O)(=O)N1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000610864371	530076216	/nfs/dbraw/zinc/07/62/16/530076216.db2.gz	LHLFMWKOAMGGRQ-UHFFFAOYSA-N	0	0	375.411	-1.075	20	5		GABDRN
CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c([N+](=O)[O-])n1	ZINC000611105963	530076742	/nfs/dbraw/zinc/07/67/42/530076742.db2.gz	PNHMBZAPCARLAE-UHFFFAOYSA-N	0	0	396.451	-1.076	20	5		GABDRN
CCn1cc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])n1	ZINC000611106666	530076676	/nfs/dbraw/zinc/07/66/76/530076676.db2.gz	UTWFIIUSLMCAOU-UHFFFAOYSA-N	0	0	396.451	-1.594	20	5		GABDRN
CN(CC(N)=O)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000611627018	1073598336	/nfs/dbraw/zinc/59/83/36/1073598336.db2.gz	DUHPCVJZKMTHID-KOLCDFICSA-N	0	0	386.386	-1.338	20	5		GABDRN
CN(CC(N)=O)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000611627029	1073598193	/nfs/dbraw/zinc/59/81/93/1073598193.db2.gz	DUHPCVJZKMTHID-ONGXEEELSA-N	0	0	386.386	-1.338	20	5		GABDRN
CN1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O	ZINC000611668200	1073601789	/nfs/dbraw/zinc/60/17/89/1073601789.db2.gz	FULRIJQJBRCPPH-JQWIXIFHSA-N	0	0	398.397	-1.023	20	5		GABDRN
CN1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O	ZINC000611668207	1073599617	/nfs/dbraw/zinc/59/96/17/1073599617.db2.gz	FULRIJQJBRCPPH-PWSUYJOCSA-N	0	0	398.397	-1.023	20	5		GABDRN
O=C(N[C@H]1CNC(=O)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000612566234	1073740485	/nfs/dbraw/zinc/74/04/85/1073740485.db2.gz	QZRRXMFAJXKQBX-FOGDFJRCSA-N	0	0	398.397	-1.277	20	5		GABDRN
O=C(N[C@@H]1CNC(=O)C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000612566236	1073740610	/nfs/dbraw/zinc/74/06/10/1073740610.db2.gz	QZRRXMFAJXKQBX-NHCYSSNCSA-N	0	0	398.397	-1.277	20	5		GABDRN
O=C(N[C@H]1CNC(=O)C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000612566238	1073740682	/nfs/dbraw/zinc/74/06/82/1073740682.db2.gz	QZRRXMFAJXKQBX-SCVCMEIPSA-N	0	0	398.397	-1.277	20	5		GABDRN
O=C(N[C@@H]1CNC(=O)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000612566240	1073740581	/nfs/dbraw/zinc/74/05/81/1073740581.db2.gz	QZRRXMFAJXKQBX-UMNHJUIQSA-N	0	0	398.397	-1.277	20	5		GABDRN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000619491432	1074693806	/nfs/dbraw/zinc/69/38/06/1074693806.db2.gz	LDFAXTCTKFJBJJ-SECBINFHSA-N	0	0	384.370	-1.065	20	5		GABDRN
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1	ZINC000619491433	1074693871	/nfs/dbraw/zinc/69/38/71/1074693871.db2.gz	LDFAXTCTKFJBJJ-VIFPVBQESA-N	0	0	384.370	-1.065	20	5		GABDRN
CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000619876393	1074695806	/nfs/dbraw/zinc/69/58/06/1074695806.db2.gz	YZIHMOKWDWPWJT-GFCCVEGCSA-N	0	0	396.356	-1.337	20	5		GABDRN
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000619876396	1074695812	/nfs/dbraw/zinc/69/58/12/1074695812.db2.gz	YZIHMOKWDWPWJT-LBPRGKRZSA-N	0	0	396.356	-1.337	20	5		GABDRN
CN(CCOC(=O)Cn1cc([N+](=O)[O-])cn1)S(=O)(=O)N1CCOCC1	ZINC000731291277	637366878	/nfs/dbraw/zinc/36/68/78/637366878.db2.gz	NSYDZQIHJCEKMV-UHFFFAOYSA-N	0	0	377.379	-1.157	20	5		GABDRN
CN(CCOC(=O)Cn1ccc([N+](=O)[O-])n1)S(=O)(=O)N1CCOCC1	ZINC000731291306	637367166	/nfs/dbraw/zinc/36/71/66/637367166.db2.gz	BCTPQBRLRKPCBX-UHFFFAOYSA-N	0	0	377.379	-1.157	20	5		GABDRN
CN(CCOC(=O)Cn1cnc([N+](=O)[O-])n1)S(=O)(=O)N1CCOCC1	ZINC000731294494	637366914	/nfs/dbraw/zinc/36/69/14/637366914.db2.gz	JJJAMDGAFGMZRC-UHFFFAOYSA-N	0	0	378.367	-1.762	20	5		GABDRN
O=C(Cn1cnnn1)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1	ZINC000737987894	598498417	/nfs/dbraw/zinc/49/84/17/598498417.db2.gz	BELPIVSNABCBNY-UHFFFAOYSA-N	0	0	386.336	-1.495	20	5		GABDRN
O=C1CN(c2cc(-c3nn[nH]n3)c([N+](=O)[O-])c(N3CCNC(=O)C3)c2)CCN1	ZINC000738306473	599363185	/nfs/dbraw/zinc/36/31/85/599363185.db2.gz	JFMALJVVNJCHLF-UHFFFAOYSA-N	0	0	387.360	-1.353	20	5		GABDRN
O=[N+]([O-])c1ncccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1	ZINC000742286071	637387972	/nfs/dbraw/zinc/38/79/72/637387972.db2.gz	XLLKXOKNRKLRMD-UHFFFAOYSA-N	0	0	380.404	-1.070	20	5		GABDRN
Cn1c2ncn(CC(=O)OCCn3ccc([N+](=O)[O-])n3)c2c(=O)n(C)c1=O	ZINC000748108004	1073453355	/nfs/dbraw/zinc/45/33/55/1073453355.db2.gz	GHORTWQPBBBEAX-UHFFFAOYSA-N	0	0	377.317	-1.218	20	5		GABDRN
Cn1cnc2c1c(=O)n(CC(=O)OCCn1cc([N+](=O)[O-])cn1)c(=O)n2C	ZINC000748108291	1073453452	/nfs/dbraw/zinc/45/34/52/1073453452.db2.gz	PKORPEPSUJEINB-UHFFFAOYSA-N	0	0	377.317	-1.218	20	5		GABDRN
Cn1cnc2c1c(=O)n(CC(=O)OCCn1ccc([N+](=O)[O-])n1)c(=O)n2C	ZINC000748109017	1073454105	/nfs/dbraw/zinc/45/41/05/1073454105.db2.gz	WFVYPMFEIOCPEY-UHFFFAOYSA-N	0	0	377.317	-1.218	20	5		GABDRN
Cn1c2ncn(CC(=O)OCCn3cc([N+](=O)[O-])cn3)c2c(=O)n(C)c1=O	ZINC000748109757	1073453476	/nfs/dbraw/zinc/45/34/76/1073453476.db2.gz	SFXZIAMYTMTAFL-UHFFFAOYSA-N	0	0	377.317	-1.218	20	5		GABDRN
O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCNC(=O)C1	ZINC000748885698	1073465387	/nfs/dbraw/zinc/46/53/87/1073465387.db2.gz	GRBGVDADHBEFIF-UHFFFAOYSA-N	0	0	393.356	-1.104	20	5		GABDRN
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Cn1cnc2c1c(=O)n(CCCOC(=O)Cn1cnc([N+](=O)[O-])n1)c(=O)n2C	ZINC000919519829	1074667217	/nfs/dbraw/zinc/66/72/17/1074667217.db2.gz	ILOBJDBJGRAEGO-UHFFFAOYSA-N	0	0	392.332	-1.433	20	5		GABDRN
O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000921045008	637373841	/nfs/dbraw/zinc/37/38/41/637373841.db2.gz	HYWIKFHJKQHTCK-GFCCVEGCSA-N	0	0	393.447	-1.117	20	5		GABDRN
O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1	ZINC000921045009	637374023	/nfs/dbraw/zinc/37/40/23/637374023.db2.gz	HYWIKFHJKQHTCK-LBPRGKRZSA-N	0	0	393.447	-1.117	20	5		GABDRN
O=[N+]([O-])c1ccnn1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000921045858	637374137	/nfs/dbraw/zinc/37/41/37/637374137.db2.gz	NVWXQFQHMQAEJS-LLVKDONJSA-N	0	0	393.447	-1.117	20	5		GABDRN
O=[N+]([O-])c1ccnn1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000921045859	637373948	/nfs/dbraw/zinc/37/39/48/637373948.db2.gz	NVWXQFQHMQAEJS-NSHDSACASA-N	0	0	393.447	-1.117	20	5		GABDRN
COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-]	ZINC000921827389	1074792297	/nfs/dbraw/zinc/79/22/97/1074792297.db2.gz	MXDBCGKTBTXTRI-UHFFFAOYSA-N	0	0	394.340	-1.165	20	5		GABDRN
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC001116341796	1073588767	/nfs/dbraw/zinc/58/87/67/1073588767.db2.gz	IXSBIEVWDFHCGT-UHFFFAOYSA-N	0	0	393.400	-1.241	20	5		GABDRN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC001116496349	1073594482	/nfs/dbraw/zinc/59/44/82/1073594482.db2.gz	BGDSRSIDIONOCX-UHFFFAOYSA-N	0	0	378.345	-1.238	20	5		GABDRN
CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O	ZINC001117335132	1073661923	/nfs/dbraw/zinc/66/19/23/1073661923.db2.gz	UDSZDMQFZZKGIU-LLVKDONJSA-N	0	0	376.373	-1.015	20	5		GABDRN
CN1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O	ZINC001117335134	1073661932	/nfs/dbraw/zinc/66/19/32/1073661932.db2.gz	UDSZDMQFZZKGIU-NSHDSACASA-N	0	0	376.373	-1.015	20	5		GABDRN
CN(C)C(=O)CN1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	ZINC001117602266	1073697739	/nfs/dbraw/zinc/69/77/39/1073697739.db2.gz	AKOGIGYDRGGGHD-UHFFFAOYSA-N	0	0	381.393	-1.860	20	5		GABDRN
Cn1cc(N2CCN(C(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)cn1	ZINC001117605334	1073698529	/nfs/dbraw/zinc/69/85/29/1073698529.db2.gz	YBPSOTKQJDMRMK-UHFFFAOYSA-N	0	0	376.377	-1.010	20	5		GABDRN
C[C@H](c1nnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1C)[N+](=O)[O-]	ZINC001122975676	1073846960	/nfs/dbraw/zinc/84/69/60/1073846960.db2.gz	VFXDHBNGDSFOEG-LLVKDONJSA-N	0	0	389.438	-1.148	20	5		GABDRN
C[C@@H](c1nnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1C)[N+](=O)[O-]	ZINC001122975677	1073847043	/nfs/dbraw/zinc/84/70/43/1073847043.db2.gz	VFXDHBNGDSFOEG-NSHDSACASA-N	0	0	389.438	-1.148	20	5		GABDRN
Nc1ccc2n(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c3ccccc3cc-2c1=O	ZINC001144904681	1075071225	/nfs/dbraw/zinc/07/12/25/1075071225.db2.gz	NUCRPNWAWZCKAE-BHYGNILZSA-N	0	0	386.360	-1.027	20	5		GABDRN
Nc1ccc2n(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c3ccccc3cc-2c1=O	ZINC001144904683	1075071214	/nfs/dbraw/zinc/07/12/14/1075071214.db2.gz	NUCRPNWAWZCKAE-DJIMGWMZSA-N	0	0	386.360	-1.027	20	5		GABDRN
Nc1ccc2n(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3cc-2c1=O	ZINC001144904685	1075071219	/nfs/dbraw/zinc/07/12/19/1075071219.db2.gz	NUCRPNWAWZCKAE-HYVNUMGLSA-N	0	0	386.360	-1.027	20	5		GABDRN
Nc1ccc2n(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c3ccccc3cc-2c1=O	ZINC001144904687	1075071220	/nfs/dbraw/zinc/07/12/20/1075071220.db2.gz	NUCRPNWAWZCKAE-USXIJHARSA-N	0	0	386.360	-1.027	20	5		GABDRN
CC(=O)NCC(=O)N1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1	ZINC001151065613	1073903961	/nfs/dbraw/zinc/90/39/61/1073903961.db2.gz	RHAYPBSNJQSJQW-UHFFFAOYSA-N	0	0	379.373	-1.047	20	5		GABDRN
C[C@H]1[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001157067850	1073922923	/nfs/dbraw/zinc/92/29/23/1073922923.db2.gz	VRPRVIAISHFIFN-YUMQZZPRSA-N	0	0	387.378	-1.392	20	5		GABDRN
COc1cc2ncnc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2cc1[N+](=O)[O-]	ZINC001158973584	1073939880	/nfs/dbraw/zinc/93/98/80/1073939880.db2.gz	BLTFIKSLAQIJJC-FTQJZPFOSA-N	0	0	382.329	-1.242	20	5		GABDRN
COc1cc2ncnc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)c2cc1[N+](=O)[O-]	ZINC001158973585	1073939803	/nfs/dbraw/zinc/93/98/03/1073939803.db2.gz	BLTFIKSLAQIJJC-HVNMYJMUSA-N	0	0	382.329	-1.242	20	5		GABDRN
COC(=O)c1nc(Cl)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1[N+](=O)[O-]	ZINC001158975580	1073940439	/nfs/dbraw/zinc/94/04/39/1073940439.db2.gz	XSNSDFBXKOJPJX-KNQHEYDMSA-N	0	0	394.724	-1.963	20	5		GABDRN
COC(=O)c1nc(Cl)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]	ZINC001158975581	1073940501	/nfs/dbraw/zinc/94/05/01/1073940501.db2.gz	XSNSDFBXKOJPJX-VXGNFFABSA-N	0	0	394.724	-1.963	20	5		GABDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1	ZINC001158975636	1073940622	/nfs/dbraw/zinc/94/06/22/1073940622.db2.gz	YSGBFZUWXULDRL-DDLCZTIJSA-N	0	0	382.782	-1.028	20	5		GABDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)n1	ZINC001158975637	1073940634	/nfs/dbraw/zinc/94/06/34/1073940634.db2.gz	YSGBFZUWXULDRL-QMVWUHKESA-N	0	0	382.782	-1.028	20	5		GABDRN
CSc1nc(Cl)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]	ZINC001158977658	1073940558	/nfs/dbraw/zinc/94/05/58/1073940558.db2.gz	HAIWSTQDUXXMNP-DDLCZTIJSA-N	0	0	382.782	-1.028	20	5		GABDRN
CSc1nc(Cl)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1[N+](=O)[O-]	ZINC001158977659	1073940887	/nfs/dbraw/zinc/94/08/87/1073940887.db2.gz	HAIWSTQDUXXMNP-QMVWUHKESA-N	0	0	382.782	-1.028	20	5		GABDRN
Cc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001158978516	1073940934	/nfs/dbraw/zinc/94/09/34/1073940934.db2.gz	RDMSQUDNHGPKBQ-LZTJUBIUSA-N	0	0	392.368	-1.006	20	5		GABDRN
Cc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001158978519	1073940949	/nfs/dbraw/zinc/94/09/49/1073940949.db2.gz	RDMSQUDNHGPKBQ-WDGOXLLCSA-N	0	0	392.368	-1.006	20	5		GABDRN
N[C@H]1[C@H](n2ccc(Nc3cc([N+](=O)[O-])cc[n+]3[O-])nc2=O)O[C@H](CO)[C@H]1O	ZINC001160086987	1073962134	/nfs/dbraw/zinc/96/21/34/1073962134.db2.gz	OWDQYUGRYKZTQD-HUXSOILUSA-N	0	0	380.317	-2.059	20	5		GABDRN
COc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)ncc1[N+](=O)[O-]	ZINC001160086992	1073962090	/nfs/dbraw/zinc/96/20/90/1073962090.db2.gz	OXAUCFKUYLDXDJ-UGKPPGOTSA-N	0	0	395.332	-1.894	20	5		GABDRN
N[C@H]1[C@H](n2ccc(Nc3nc(Cl)ncc3[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O	ZINC001160087288	1073962252	/nfs/dbraw/zinc/96/22/52/1073962252.db2.gz	SLCJEROVWNWUOK-PNHWDRBUSA-N	0	0	399.751	-1.249	20	5		GABDRN
N[C@H]1[C@H](n2ccc(Nc3ncc(F)cc3[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O	ZINC001160087328	1073962109	/nfs/dbraw/zinc/96/21/09/1073962109.db2.gz	SWWSQVFJELTXHZ-UORFTKCHSA-N	0	0	382.308	-1.159	20	5		GABDRN
COc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)ccc1[N+](=O)[O-]	ZINC001160087568	1073962771	/nfs/dbraw/zinc/96/27/71/1073962771.db2.gz	XBYDPXNXKNMMCB-LHNIVKCTSA-N	0	0	394.344	-1.123	20	5		GABDRN
COc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)ncc1[N+](=O)[O-]	ZINC001160087793	1073963295	/nfs/dbraw/zinc/96/32/95/1073963295.db2.gz	BGNGNAABRBCDRT-ICGCDAGXSA-N	0	0	394.344	-1.289	20	5		GABDRN
COc1ncnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1[N+](=O)[O-]	ZINC001160087819	1073963407	/nfs/dbraw/zinc/96/34/07/1073963407.db2.gz	CWQXKRYMOIQUDG-CLOKMRPHSA-N	0	0	395.332	-1.894	20	5		GABDRN
Nc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)ccc1[N+](=O)[O-]	ZINC001160087895	1073963251	/nfs/dbraw/zinc/96/32/51/1073963251.db2.gz	GUJUUTFUVXZJLK-GDECHXLSSA-N	0	0	379.333	-1.550	20	5		GABDRN
N[C@H]1[C@H](n2ccc(Nc3ncc([N+](=O)[O-])cc3F)nc2=O)O[C@H](CO)[C@H]1O	ZINC001160087908	1073963429	/nfs/dbraw/zinc/96/34/29/1073963429.db2.gz	HRRADFBVAQTILO-UORFTKCHSA-N	0	0	382.308	-1.159	20	5		GABDRN
Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1	ZINC001160087997	1073964021	/nfs/dbraw/zinc/96/40/21/1073964021.db2.gz	LPKQJDDUHKZFKA-XIDUGBJDSA-N	0	0	394.344	-1.751	20	5		GABDRN
Nc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)ncc1[N+](=O)[O-]	ZINC001160088008	1073963959	/nfs/dbraw/zinc/96/39/59/1073963959.db2.gz	MFCAAYYJJXTYRL-HUXSOILUSA-N	0	0	379.333	-1.716	20	5		GABDRN
COc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c([N+](=O)[O-])c1	ZINC001160088049	1073963819	/nfs/dbraw/zinc/96/38/19/1073963819.db2.gz	OMOLRXQMRSVYIY-XIDUGBJDSA-N	0	0	394.344	-1.289	20	5		GABDRN
Cc1ncc([N+](=O)[O-])c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)n1	ZINC001160088392	1073964598	/nfs/dbraw/zinc/96/45/98/1073964598.db2.gz	WIGKRJURIRLNRS-UORFTKCHSA-N	0	0	379.333	-1.594	20	5		GABDRN
Nc1cc([N+](=O)[O-])cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1	ZINC001160092562	1073964504	/nfs/dbraw/zinc/96/45/04/1073964504.db2.gz	JPNMDYFPTOXZQJ-UORFTKCHSA-N	0	0	379.333	-1.716	20	5		GABDRN
Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)ncc1[N+](=O)[O-]	ZINC001160092572	1073964460	/nfs/dbraw/zinc/96/44/60/1073964460.db2.gz	JZWFETSOZBHIFM-HJQYOEGKSA-N	0	0	379.333	-1.594	20	5		GABDRN
CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	ZINC001168042808	1074214645	/nfs/dbraw/zinc/21/46/45/1074214645.db2.gz	VUPBDXBZALLBHF-APOSLCTFSA-N	0	0	382.782	-1.044	20	5		GABDRN
COC(=O)C(C(=O)OC)c1ncc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC001168047207	1074220770	/nfs/dbraw/zinc/22/07/70/1074220770.db2.gz	MUYAQDBLNBJMDC-GCIKMIKUSA-N	0	0	399.356	-1.066	20	5		GABDRN
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1	ZINC001168997382	1074924217	/nfs/dbraw/zinc/92/42/17/1074924217.db2.gz	CSYVOAZLCLLXMW-DNOVGRLMSA-N	0	0	386.379	-2.352	20	5		GABDRN
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1	ZINC001168997385	1074924318	/nfs/dbraw/zinc/92/43/18/1074924318.db2.gz	CSYVOAZLCLLXMW-LTDQNYPCSA-N	0	0	386.379	-2.352	20	5		GABDRN
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1	ZINC001168997387	1074924312	/nfs/dbraw/zinc/92/43/12/1074924312.db2.gz	CSYVOAZLCLLXMW-RWHZVYADSA-N	0	0	386.379	-2.352	20	5		GABDRN
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1	ZINC001168997389	1074924280	/nfs/dbraw/zinc/92/42/80/1074924280.db2.gz	CSYVOAZLCLLXMW-YUQPVLSZSA-N	0	0	386.379	-2.352	20	5		GABDRN
COc1nc(SC)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1[N+](=O)[O-]	ZINC001169970937	1074988216	/nfs/dbraw/zinc/98/82/16/1074988216.db2.gz	YIYXSQWSBAITES-AWUUKSCYSA-N	0	0	378.363	-1.673	20	5		GABDRN
COc1nc(SC)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]	ZINC001169970938	1074988145	/nfs/dbraw/zinc/98/81/45/1074988145.db2.gz	YIYXSQWSBAITES-QWEIRQIHSA-N	0	0	378.363	-1.673	20	5		GABDRN
O=[N+]([O-])c1cc(Br)[n+]([O-])c(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1	ZINC001169975503	1074989022	/nfs/dbraw/zinc/98/90/22/1074989022.db2.gz	IBIRZHKCEFHTEG-IIPUXWFRSA-N	0	0	396.150	-1.798	20	5		GABDRN
O=[N+]([O-])c1cc(Br)[n+]([O-])c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1	ZINC001169975504	1074988891	/nfs/dbraw/zinc/98/88/91/1074988891.db2.gz	IBIRZHKCEFHTEG-WNETWIIESA-N	0	0	396.150	-1.798	20	5		GABDRN
CC(=O)N1CCc2cc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc([N+](=O)[O-])c21	ZINC001169975700	1074989017	/nfs/dbraw/zinc/98/90/17/1074989017.db2.gz	AJPLFLWCWDLVDK-CCECPURYSA-N	0	0	383.357	-1.284	20	5		GABDRN
CC(=O)N1CCc2cc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cc([N+](=O)[O-])c21	ZINC001169975701	1074989031	/nfs/dbraw/zinc/98/90/31/1074989031.db2.gz	AJPLFLWCWDLVDK-JLHFOLKXSA-N	0	0	383.357	-1.284	20	5		GABDRN
O=[N+]([O-])c1cc(Br)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1	ZINC001169976050	1074989256	/nfs/dbraw/zinc/98/92/56/1074989256.db2.gz	MFJRHPPSIRRDJD-IIPUXWFRSA-N	0	0	380.151	-1.036	20	5		GABDRN
O=[N+]([O-])c1cc(Br)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1	ZINC001169976051	1074989334	/nfs/dbraw/zinc/98/93/34/1074989334.db2.gz	MFJRHPPSIRRDJD-WNETWIIESA-N	0	0	380.151	-1.036	20	5		GABDRN
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Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC001339836214	1075080318	/nfs/dbraw/zinc/08/03/18/1075080318.db2.gz	BIPWCSRIGGRNFC-JTQLQIEISA-N	0	0	393.447	-1.033	20	5		GABDRN
Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC001339836217	1075080262	/nfs/dbraw/zinc/08/02/62/1075080262.db2.gz	BIPWCSRIGGRNFC-SNVBAGLBSA-N	0	0	393.447	-1.033	20	5		GABDRN
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