smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)c([N+](=O)[O-])c1	514393339	XGJGXEVWNGYSPO-UHFFFAOYSA-N	519.605	3.304	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1	514294799	CBQGSUPPOHYPBB-OAQYLSRUSA-N	509.028	3.376	5	20	KGBD	
CCn1c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1	514395556	MYTTZWXSRKGIEL-UHFFFAOYSA-N	542.643	3.339	5	20	KGBD	
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCc2ccc([N+](=O)[O-])cc21	514302290	OEEQWLSZLGXTBJ-CYBMUJFWSA-N	500.396	3.409	5	20	KGBD	
Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)nc(O)c2c1C	514378842	JBTHGTNUGZVBCI-HNNXBMFYSA-N	551.672	3.077	5	20	KGBD	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCC(C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1	514382622	SNEIMJLCFFOFAW-UHFFFAOYSA-N	555.657	3.470	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(OC)cc2OC)c([N+](=O)[O-])c1	514294853	CAKYYXTUFPROGC-UHFFFAOYSA-N	501.945	3.313	5	20	KGBD	
NC(=O)CSc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514382690	ANHHNLNBBOWKTP-UHFFFAOYSA-N	561.686	3.202	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)CC2)c([N+](=O)[O-])c1	514382927	YMSIVIMQXGWPCB-UHFFFAOYSA-N	646.163	3.167	5	20	KGBD	
CC[C@@H](c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1CCN1CCOCC1)N(C)C	514375432	PBESYMZIUZQGCT-SFHVURJKSA-N	545.588	3.281	5	20	KGBD	
CCn1c(CCC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21	514390666	SHQBRDPOAJNENQ-UHFFFAOYSA-N	556.567	3.394	5	20	KGBD	
CNC(=O)c1ccc(CN(C)C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	514388978	WSUABBNRSIUBPJ-UHFFFAOYSA-N	557.673	3.004	5	20	KGBD	
Cc1cc(C)c(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)c(C)c1	514291725	GIENYCASARZEHH-UHFFFAOYSA-N	516.620	3.396	5	20	KGBD	
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	514294121	YWFQVBDOQGJUTL-UHFFFAOYSA-N	520.633	3.337	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)CC2)c([N+](=O)[O-])c1	514377825	KWPUKRCBIYGBDS-RUZDIDTESA-N	549.669	3.400	5	20	KGBD	
O=C(NCCNc1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514384785	WYFNTDJGLUERQG-UHFFFAOYSA-N	500.499	3.243	5	20	KGBD	
COc1ccc2cc(CNC(=O)C3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)ccc2c1	514301873	FRKXKSJYDVEKJL-UHFFFAOYSA-N	568.652	3.310	5	20	KGBD	
O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514380249	KMENKMGVDLAQRV-MSOLQXFVSA-N	519.542	3.025	5	20	KGBD	
O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514380816	UQSJPZUNKSFMAA-UHFFFAOYSA-N	526.974	3.263	5	20	KGBD	
CC(C)(CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCCCC1	514292274	JYBHBMFMQDCYNC-UHFFFAOYSA-N	535.711	3.367	5	20	KGBD	
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514294070	YAVMHXCOESUDPP-UHFFFAOYSA-N	614.508	3.236	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCc3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1	514377008	WJEDBMCCLPCRRV-UHFFFAOYSA-N	534.635	3.175	5	20	KGBD	
CS(=O)(=O)N1CCCN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1	514389926	RTKHYJCJTAQFPE-IBGZPJMESA-N	511.398	3.004	5	20	KGBD	
CCN(C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1nc2ccccc2s1	514384379	OHBNSTTXZMKPSZ-UHFFFAOYSA-N	559.670	3.495	5	20	KGBD	
CC(C)Nc1ccc(S(=O)(=O)NCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-]	514302038	AILWWLORDJAXHG-HNNXBMFYSA-N	510.642	3.021	5	20	KGBD	
COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1	514378832	IUCIRKLXDXSFRD-DEOSSOPVSA-N	558.657	3.204	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H](c3cccs3)N(C)C)CC2)c([N+](=O)[O-])c1	514292697	OTUPYQSMARGUOW-QFIPXVFZSA-N	537.708	3.322	5	20	KGBD	
CC[C@H](c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1CCN1CCOCC1)N(C)C	514375428	PBESYMZIUZQGCT-GOSISDBHSA-N	545.588	3.281	5	20	KGBD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	514380288	LCPOYAGTFVBYIU-UHFFFAOYSA-N	522.027	3.427	5	20	KGBD	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)cc1C	514384299	NIUNKQCYJFYFNK-UHFFFAOYSA-N	511.604	3.220	5	20	KGBD	
CS(=O)(=O)c1ccc(NCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1	514393332	XBKCZXAXCBGFSJ-UHFFFAOYSA-N	542.536	3.098	5	20	KGBD	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	514297037	VUFOWRQMTZVGIG-UHFFFAOYSA-N	542.536	3.490	5	20	KGBD	
O=C(Nc1ccc(OC(F)F)cc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514377234	OKABJTYKBBYNIH-UHFFFAOYSA-N	540.545	3.072	5	20	KGBD	
Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)nc(O)c2c1C	514378843	JBTHGTNUGZVBCI-OAHLLOKOSA-N	551.672	3.077	5	20	KGBD	
COc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C	514389544	JBHMVBPEUAEHAY-SFHVURJKSA-N	521.592	3.493	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)s1	514393543	DVEPZHGFPDGWDW-UHFFFAOYSA-N	502.640	3.083	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)c([N+](=O)[O-])c1	514297129	SIEMSDOFVBDVIF-DEOSSOPVSA-N	579.745	3.093	5	20	KGBD	
CCCCn1c(CCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21	514381380	CNCMAOWWNPTWFU-UHFFFAOYSA-N	634.781	3.241	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nc(SC)nc3C)CC2)c([N+](=O)[O-])c1	514383472	JRKKHCQGNLOCAP-UHFFFAOYSA-N	550.707	3.035	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc4cnn(C(C)C)c4nc3C)CC2)c([N+](=O)[O-])c1	514402394	ICFLXBQISYMCPJ-UHFFFAOYSA-N	543.650	3.222	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1	514378854	YHQYSEMGWBTOER-UHFFFAOYSA-N	580.685	3.126	5	20	KGBD	
CCc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)N(C)C)cc1	514377816	KRVMTGBEKIJDDO-HSZRJFAPSA-N	502.637	3.285	5	20	KGBD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1	514379498	VZJORGRJDYASQA-UHFFFAOYSA-N	570.716	3.376	5	20	KGBD	
COc1cc2ncn(CCCC(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c(=O)c2cc1OC	514405802	ZKUCJWYBVSZIRM-HXUWFJFHSA-N	526.546	3.301	5	20	KGBD	
CC(C)NC(=O)CN(C)C(=O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	514384256	MDEUBFFHLKMQRU-UHFFFAOYSA-N	520.633	3.127	5	20	KGBD	
O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	514394873	VICSJRHSHMJQBQ-UHFFFAOYSA-N	518.539	3.422	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1	514393496	CPABCRNYFGNLTK-UHFFFAOYSA-N	523.011	3.433	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	514405242	SWIWILFOLBGCCI-UHFFFAOYSA-N	539.054	3.438	5	20	KGBD	
CC(C)CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514294277	YXTHFEISHSJABJ-UHFFFAOYSA-N	520.590	3.393	5	20	KGBD	
CC(=O)N1CCN(c2ccc(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@@H]3CCCO3)cc2[N+](=O)[O-])CC1	514384334	OIESDZVXLJVHFX-QHCPKHFHSA-N	537.617	3.140	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(NC2CC2)c([N+](=O)[O-])c1	514296411	PGTRHFQCLQJCNF-UHFFFAOYSA-N	544.508	3.383	5	20	KGBD	
CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514385017	WVJHNPPZDURRPP-UHFFFAOYSA-N	544.630	3.373	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCCOc3ccccc3F)CC2)c([N+](=O)[O-])c1	514295213	CUNBPQWTCACVMR-UHFFFAOYSA-N	522.599	3.176	5	20	KGBD	
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCc2ccc([N+](=O)[O-])cc21	514302292	OEEQWLSZLGXTBJ-ZDUSSCGKSA-N	500.396	3.409	5	20	KGBD	
Cc1nn(Cc2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)cc2)c(C)c1[N+](=O)[O-]	514384569	QEFWSFSYJUQELR-UHFFFAOYSA-N	568.656	3.330	5	20	KGBD	
CS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1	514380146	GHQYIQNZDQGUKI-UHFFFAOYSA-N	520.917	3.431	5	20	KGBD	
CCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c([N+](=O)[O-])cc1OC	514390116	YMLWWVODGHYIBA-UHFFFAOYSA-N	526.468	3.297	5	20	KGBD	
COc1ccc(CCNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	514380569	PNUGYOMOHONRHV-UHFFFAOYSA-N	530.647	3.353	5	20	KGBD	
O=C(CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)Nc1ccc(OC(F)(F)F)cc1	514300734	SBNZVDUDANBPCV-UHFFFAOYSA-N	535.523	3.493	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c([N+](=O)[O-])c1	514376560	CKCXVIMNINEKTB-UHFFFAOYSA-N	661.725	3.394	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1Cl	514403136	VRXZQZKOBYEMSV-INIZCTEOSA-N	524.983	3.112	5	20	KGBD	
CSc1nc2nc(C)c(CC(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c(C)n2n1	514385847	WSCVKDYTFHPNBZ-UHFFFAOYSA-N	509.514	3.281	5	20	KGBD	
COc1cc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1OC	514389219	CURKIKUVEUQXBB-UHFFFAOYSA-N	561.535	3.270	5	20	KGBD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])CC2)CC1	514384464	QNEJUPBKIVKJJX-UHFFFAOYSA-N	614.769	3.187	5	20	KGBD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[C@H]1c1ccccc1OC	514302457	FIDVQVMVBHEPAQ-QFQXNSOFSA-N	558.657	3.216	5	20	KGBD	
CC(C)OC(=O)C[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1[N+](=O)[O-]	514391875	PQGLVPCQRAOUML-KRWDZBQOSA-N	549.510	3.467	5	20	KGBD	
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1S(=O)(=O)N(CC)CC	514291291	DADXZVSMCGOXSW-UHFFFAOYSA-N	582.701	3.372	5	20	KGBD	
COCCN(C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377734	HBUMAEWZCUMCTF-OALUTQOASA-N	550.616	3.263	5	20	KGBD	
CCOc1ccc(C(=O)N2CCC(NC(=O)CNS(=O)(=O)c3ccc(SCC(C)C)c([N+](=O)[O-])c3)CC2)cc1	514404971	OYBDAEXUIBHJII-UHFFFAOYSA-N	578.713	3.441	5	20	KGBD	
CCCc1nnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])CC2)s1	514299298	KDEXRSTZSLDCKZ-UHFFFAOYSA-N	510.642	3.284	5	20	KGBD	
O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	514291978	INXPVYRGRYIMOQ-UHFFFAOYSA-N	584.573	3.134	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3cc(OC)ccc3OC)CC2)c([N+](=O)[O-])c1	514403922	UAUMDBKVTVEDAN-UHFFFAOYSA-N	520.608	3.498	5	20	KGBD	
COc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C	514389543	JBHMVBPEUAEHAY-GOSISDBHSA-N	521.592	3.493	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1	514402524	BKORBYYEFWWYGS-UHFFFAOYSA-N	500.581	3.357	5	20	KGBD	
O=C(Nc1ccc(I)cc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514297643	VZTRMCJSYBKECQ-UHFFFAOYSA-N	600.435	3.075	5	20	KGBD	
CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-]	514379514	BNZNOYPWSOMWCX-UHFFFAOYSA-N	589.492	3.183	5	20	KGBD	
CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1[N+](=O)[O-]	514390039	VWKNPMLGLULDHW-OAQYLSRUSA-N	539.557	3.473	5	20	KGBD	
CCCCn1c(CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	514296705	OZLYWHKLIGTPAJ-UHFFFAOYSA-N	542.662	3.276	5	20	KGBD	
O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514303451	NOACCWRHDLNEMG-UHFFFAOYSA-N	508.984	3.124	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CSc3nnc(-c4cccs4)n3CC)CC2)c([N+](=O)[O-])c1	514401898	BECHIWYKRQAPIQ-UHFFFAOYSA-N	593.757	3.406	5	20	KGBD	
Cc1sc2nc(CS[C@H](C)C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nc(O)c2c1C	514296475	QKQLMUFTQHWTQP-OAHLLOKOSA-N	551.672	3.077	5	20	KGBD	
CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514293948	UJHKDTAWAGXICG-UHFFFAOYSA-N	552.053	3.190	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1	514375098	KRLLZLSVOPASII-UHFFFAOYSA-N	501.508	3.264	5	20	KGBD	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1	514381628	LXYPQVGTSLRHKV-UHFFFAOYSA-N	559.670	3.225	5	20	KGBD	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	514379114	MAXQJTFSXGUCFE-HXUWFJFHSA-N	575.496	3.286	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1Cl	514403138	VRXZQZKOBYEMSV-MRXNPFEDSA-N	524.983	3.112	5	20	KGBD	
CCN(CC)CCCNc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	514296691	NNIMVEAIAYNJNT-UHFFFAOYSA-N	516.624	3.337	5	20	KGBD	
CC[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	514401324	UDJCUORBVNUDGI-HXOBKFHXSA-N	529.619	3.035	5	20	KGBD	
CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291017	BZOAFANZPYOQRO-HNNXBMFYSA-N	519.605	3.105	5	20	KGBD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[C@@H]1c1ccccc1OC	514302458	FIDVQVMVBHEPAQ-RLWLMLJZSA-N	558.657	3.216	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)CC1	514291161	CZTKSXCWOSJFMS-UHFFFAOYSA-N	502.593	3.018	5	20	KGBD	
COc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	514384770	WOAFOUUDVJRXMQ-UHFFFAOYSA-N	516.498	3.249	5	20	KGBD	
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1	514294297	ZUCFQLSPPSSJQS-UHFFFAOYSA-N	515.636	3.003	5	20	KGBD	
CC(C)(C)c1csc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)n1	514378710	HYXOLXLGJOSBCX-UHFFFAOYSA-N	537.664	3.225	5	20	KGBD	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl	514386183	GVNKXFYADUTLFD-UHFFFAOYSA-N	513.956	3.074	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)c([N+](=O)[O-])c1	514388185	QBDDVTRZLFWBQM-UHFFFAOYSA-N	543.646	3.373	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])CC2)cc1OC	514389876	QAFBIHCEKNYYLG-NRFANRHFSA-N	563.629	3.212	5	20	KGBD	
C[C@H]1C[C@H](C)CN(c2nnc(Sc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])n2Cc2ccco2)C1	514394526	YAHTTXSAAVJZEZ-ROUUACIJSA-N	562.674	3.482	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CC1	514401660	BHYMHQHUIRUEGM-UHFFFAOYSA-N	540.642	3.387	5	20	KGBD	
C[C@H](NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1ccc(Br)cc1	514377907	OGRAUONRVQVLTN-KRWDZBQOSA-N	581.489	3.472	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c([N+](=O)[O-])c1	514293520	RSCRVYAGQRXYAY-UHFFFAOYSA-N	500.621	3.427	5	20	KGBD	
CCNc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1[N+](=O)[O-]	514295800	HDMZDDOQNRXDRC-UHFFFAOYSA-N	517.608	3.290	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(C)nc4c3cnn4C(C)C)CC2)c([N+](=O)[O-])c1	514392626	ZPZXDJZZLDXIKS-UHFFFAOYSA-N	543.650	3.222	5	20	KGBD	
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514297426	ZBLCJPKPPMVKHJ-UHFFFAOYSA-N	526.537	3.363	5	20	KGBD	
COc1ccc([C@@H](C)N(C)C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1	514404643	LDTASXQGWCSAAB-LJQANCHMSA-N	546.646	3.060	5	20	KGBD	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1	514295216	ACRXHQPNIFQURO-UHFFFAOYSA-N	515.592	3.056	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	514298069	UFDPFSZALGPPEO-UHFFFAOYSA-N	501.583	3.222	5	20	KGBD	
C[C@H](c1nnc(Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C	514382471	MJABJGVCMHJCJX-MRXNPFEDSA-N	549.654	3.025	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(C)CCOc3ccccc3)CC2)c([N+](=O)[O-])c1	514402785	NKBCQHZLLAGVKZ-UHFFFAOYSA-N	518.636	3.379	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	514376729	FUCQXSHWLJZGGE-UHFFFAOYSA-N	611.643	3.200	5	20	KGBD	
C[C@@H](c1nnc(Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)N(C)C	514382394	MJABJGVCMHJCJX-INIZCTEOSA-N	549.654	3.025	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	514291100	DLVYIRSJMVGHHC-UHFFFAOYSA-N	529.619	3.068	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3oc4ccccc4c3COC)CC2)c([N+](=O)[O-])c1	514291132	CGLUQUFBOBSLLB-UHFFFAOYSA-N	530.603	3.480	5	20	KGBD	
O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514380251	KMENKMGVDLAQRV-ROUUACIJSA-N	519.542	3.025	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c([N+](=O)[O-])c1	514389131	AAJJFCXRQZNPOR-HXUWFJFHSA-N	521.592	3.203	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N[C@H](CN3CCOCC3)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1	514405027	QNTPWIFNMTYIJP-AREMUKBSSA-N	587.743	3.340	5	20	KGBD	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	514295946	GZHJWDQLVTUBNV-RTWAWAEBSA-N	517.380	3.360	5	20	KGBD	
COCCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514379368	TUCXJLVFDCIYGJ-NPMXOYFQSA-N	501.565	3.198	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	514378785	JUDKMUBSIJJNLO-UHFFFAOYSA-N	550.659	3.117	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	514291097	BUXUMWMFOPLWRN-UHFFFAOYSA-N	506.581	3.495	5	20	KGBD	
C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	514294445	ZWMDEAWGMHGJEV-ZDUSSCGKSA-N	518.375	3.179	5	20	KGBD	
COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1	514377606	BLVARGDSZVYCJA-UHFFFAOYSA-N	518.592	3.113	5	20	KGBD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[C@@H]1c1ccccc1OC	514302456	FIDVQVMVBHEPAQ-LVXARBLLSA-N	558.657	3.216	5	20	KGBD	
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)CC1	514379068	OBXLDKFEZUKKHT-UHFFFAOYSA-N	592.118	3.143	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(OC[C@@H]4CCCO4)c3)CC2)c([N+](=O)[O-])c1	514401829	GDABBWNYUDDMTL-QFIPXVFZSA-N	546.646	3.146	5	20	KGBD	
CCOC(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)cc([N+](=O)[O-])c1	514292113	KWZPYLPMSMIZFC-UHFFFAOYSA-N	546.602	3.035	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(OC[C@H]4CCCO4)c3)CC2)c([N+](=O)[O-])c1	514401828	GDABBWNYUDDMTL-JOCHJYFZSA-N	546.646	3.146	5	20	KGBD	
CC(C)(C)NC(=O)CNC(=O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	514402505	ARBYEAYVOGKLJQ-UHFFFAOYSA-N	520.633	3.175	5	20	KGBD	
CCCCn1c(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514405185	SJOFDQJOIBZFLR-UHFFFAOYSA-N	515.592	3.337	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H](c3cccs3)N(C)C)CC2)c([N+](=O)[O-])c1	514292696	OTUPYQSMARGUOW-JOCHJYFZSA-N	537.708	3.322	5	20	KGBD	
CCOC(=O)c1csc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)n1	514376480	BCVGSOXZZFPTCX-UHFFFAOYSA-N	551.647	3.258	5	20	KGBD	
Cc1ccc(OCCNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	514380655	RPKMMDRHQYDNSI-UHFFFAOYSA-N	530.647	3.489	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2)c([N+](=O)[O-])c1	514385730	SKPZFVGGOMNPAG-UHFFFAOYSA-N	585.727	3.397	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1cccs1	514380171	XYMVBZXKWCGMPJ-OAQYLSRUSA-N	534.660	3.257	5	20	KGBD	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	514296368	LWYFNBBHKPMYDG-UHFFFAOYSA-N	556.689	3.374	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(C)Cc3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1	514378894	YUHCCVNVDIOLFK-UHFFFAOYSA-N	546.646	3.272	5	20	KGBD	
O=C(NCCc1cccc(F)c1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514385562	MKXKSSIPBJOUEY-UHFFFAOYSA-N	518.611	3.484	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1OC	514387433	MRGAIFQUMWSGPB-UHFFFAOYSA-N	560.551	3.260	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CC1	514390908	BAPSUMMXLHHVIW-UHFFFAOYSA-N	518.611	3.178	5	20	KGBD	
COCCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514378219	BUGKEHDIWLSVJD-UHFFFAOYSA-N	560.654	3.351	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)c([N+](=O)[O-])c1	514296299	LGHAEBWOPFVWLD-UHFFFAOYSA-N	523.700	3.267	5	20	KGBD	
Cc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1C	514377627	CJABCJCXLQQWCN-UHFFFAOYSA-N	502.593	3.088	5	20	KGBD	
CC(C)OC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1[N+](=O)[O-]	514390038	VWKNPMLGLULDHW-NRFANRHFSA-N	539.557	3.473	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)c([N+](=O)[O-])c1	514392150	RIFBRUIXXHEODC-UHFFFAOYSA-N	571.700	3.263	5	20	KGBD	
CCCn1c(CCC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCC3)ccc21	514389970	TZYKUJQRQUNGBZ-UHFFFAOYSA-N	573.672	3.448	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)c([N+](=O)[O-])c1	514377301	QMAKVFQEUCOQKW-UHFFFAOYSA-N	512.535	3.189	5	20	KGBD	
CN(C)Cc1ccc(CSCCN(C)/C(N)=C(/C/C(=C(\N)N(C)CCSCc2ccc(CN(C)C)o2)[N+](=O)[O-])[N+](=O)[O-])o1	2048532493	VUVZMYICFDQEGL-DSOYXUETSA-N	640.833	3.225	5	20	KGBD	
COCCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377661	DKZPFHLFHAQFJE-UHFFFAOYSA-N	590.559	3.402	5	20	KGBD	
CCOc1cc(Br)c(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OCC	514388589	QAUVAZSDENIBRZ-UHFFFAOYSA-N	544.424	3.329	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c([N+](=O)[O-])c1	514300081	SFBKEZFYQVLSHN-UHFFFAOYSA-N	529.619	3.182	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)c([N+](=O)[O-])c1	514378078	QTIZYWXMNWGNMQ-UHFFFAOYSA-N	559.689	3.199	5	20	KGBD	
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	514401026	JHTMEFWGEFYEIA-UHFFFAOYSA-N	506.528	3.230	5	20	KGBD	
CCCOc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c([N+](=O)[O-])cc1OCCC	514389944	SHIBOWIDJDRIFE-UHFFFAOYSA-N	507.565	3.446	5	20	KGBD	
C[C@@H](NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1ccc(Br)cc1	514377908	OGRAUONRVQVLTN-QGZVFWFLSA-N	581.489	3.472	5	20	KGBD	
CN(C)Cc1ccc(CSCCN(C)C(N)=C(CC(=C(N)N(C)CCSCc2ccc(CN(C)C)o2)[N+](=O)[O-])[N+](=O)[O-])o1	2332239740	VUVZMYICFDQEGL-UHFFFAOYSA-N	640.833	3.225	5	20	KGBD	
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	514379552	CZABZMNJXKIBMZ-UHFFFAOYSA-N	508.984	3.124	5	20	KGBD	
O=C(Nc1ccccc1OC(F)F)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514292667	NQUZJCIHXQYCTL-UHFFFAOYSA-N	540.545	3.072	5	20	KGBD	
O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1	514378956	KIGSVUCRSMPJDO-UHFFFAOYSA-N	584.602	3.368	5	20	KGBD	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1	514379817	VHQRRJLNJUTPQM-UHFFFAOYSA-N	537.660	3.059	5	20	KGBD	
COc1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	514296843	OSQPGSBBOXDDTK-UHFFFAOYSA-N	516.620	3.311	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)c([N+](=O)[O-])c1	514389126	ZRTIYGZVGRVYRQ-OAQYLSRUSA-N	572.688	3.218	5	20	KGBD	
O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514295760	KBFBYSJVCQXOHK-UHFFFAOYSA-N	515.411	3.140	5	20	KGBD	
CC(C)OCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	514391034	XZMMZRQBSFKSJV-VWLOTQADSA-N	573.672	3.052	5	20	KGBD	
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514301020	VXQQFDHTOLYIEO-NRFANRHFSA-N	567.590	3.248	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	514295728	MOUUPLFFFPSOMX-UHFFFAOYSA-N	684.635	3.281	5	20	KGBD	
COCCN(C(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377733	HBUMAEWZCUMCTF-KDURUIRLSA-N	550.616	3.263	5	20	KGBD	
CN(C)Cc1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	514299246	DRABKYWAUFLMPP-UHFFFAOYSA-N	543.690	3.364	5	20	KGBD	
Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)NC3CCN(C4CC4)CC3)c([N+](=O)[O-])c2)c(C)c1	514394369	VGLWGYFFZIGUPU-UHFFFAOYSA-N	501.609	3.167	5	20	KGBD	
O=C(NCCNc1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1	514390105	YDHNFBOPVJZOBN-UHFFFAOYSA-N	516.498	3.122	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c([N+](=O)[O-])c1	514302022	ACJBPZWSBLBNPX-SFHVURJKSA-N	533.651	3.166	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)CC2)c([N+](=O)[O-])c1	514395499	MAEKXWHCNSIOPB-UHFFFAOYSA-N	572.688	3.180	5	20	KGBD	
CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccccc1[N+](=O)[O-]	514390526	MZNZYNPNBKUNOC-DYESRHJHSA-N	509.515	3.183	5	20	KGBD	
CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-]	514387174	KCQMUWXLJCDRQM-UHFFFAOYSA-N	578.669	3.227	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N(Cc1cccs1)C[C@H]1CCCO1	514301401	ZPLUJOOGVPZERF-OAQYLSRUSA-N	578.713	3.101	5	20	KGBD	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1	514298828	HQLSLHLIFVDZEO-UHFFFAOYSA-N	541.552	3.316	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	514405186	SKUDDQFLUBDLGI-UHFFFAOYSA-N	557.673	3.461	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c([N+](=O)[O-])c1	514391331	GZQPTLSPKONWNK-INIZCTEOSA-N	525.653	3.331	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	514376399	KVBICTKYXGUAAK-UHFFFAOYSA-N	557.673	3.461	5	20	KGBD	
CC(C)OC(=O)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccccc1[N+](=O)[O-]	514390528	MZNZYNPNBKUNOC-UTKZUKDTSA-N	509.515	3.183	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c([N+](=O)[O-])c1	514380383	JICMCXRUNHZKAB-UHFFFAOYSA-N	503.625	3.003	5	20	KGBD	
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	514301021	VXQQFDHTOLYIEO-OAQYLSRUSA-N	567.590	3.248	5	20	KGBD	
CCn1c(CCC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21	514390548	NQVUSBWBDQKCTB-HXUWFJFHSA-N	559.645	3.347	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3cc(NC(C)=O)ccc3OC)CC2)c([N+](=O)[O-])c1	514378208	BIVULGQVLWHPAQ-UHFFFAOYSA-N	547.634	3.447	5	20	KGBD	
CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(Br)s2)cc1[N+](=O)[O-]	514382491	NATBAFMHSOZGMM-UHFFFAOYSA-N	505.416	3.176	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)c1	514385156	ZYZNATPKIULSBN-UHFFFAOYSA-N	572.688	3.146	5	20	KGBD	
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc(Cl)c1OCC(C)C	514378398	FEYFTCRTOVZKCE-UHFFFAOYSA-N	511.984	3.438	5	20	KGBD	
C[C@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514301297	ZPIXRFGDYNRACN-LJQANCHMSA-N	516.620	3.052	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)cc1	514292721	PKLOGLMWWRRPHL-UHFFFAOYSA-N	556.563	3.372	5	20	KGBD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	514301695	CJWFMQAEGXONPV-UHFFFAOYSA-N	560.551	3.299	5	20	KGBD	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	514376380	JUSKWHGGRLCFOH-UHFFFAOYSA-N	502.593	3.413	5	20	KGBD	
CC(C)n1nccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514377189	MHACPESYBRUSOP-UHFFFAOYSA-N	504.613	3.402	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])CC2)cc1OC	514389877	QAFBIHCEKNYYLG-OAQYLSRUSA-N	563.629	3.212	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)c([N+](=O)[O-])c1	514292244	JHRYXOAWQRFRAX-UHFFFAOYSA-N	581.717	3.167	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c([N+](=O)[O-])c1	514379442	UUHVAVZIFKPGPY-UHFFFAOYSA-N	526.999	3.133	5	20	KGBD	
O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	514401372	VYFYOMWLOUNIGH-DEOSSOPVSA-N	541.630	3.179	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1	514291268	CRFXQLMRLOUYBL-UHFFFAOYSA-N	518.592	3.252	5	20	KGBD	
Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)NCc3nnc4n3CCCCC4)c([N+](=O)[O-])c2)c(C)c1	514394698	ZDPLLLWGJJSYHT-UHFFFAOYSA-N	527.607	3.059	5	20	KGBD	
CN(CCOc1ccc(Cl)cc1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514302412	DTKZKYQQAGDJMN-UHFFFAOYSA-N	567.064	3.023	5	20	KGBD	
O=C(Nc1cc(Cl)ccc1F)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514378123	RYHZXIJLSHZTBK-UHFFFAOYSA-N	526.974	3.263	5	20	KGBD	
CN(C(=O)CSCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1CCCCC1	514296126	JWDNDHVVQKGFNW-UHFFFAOYSA-N	512.635	3.347	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c([N+](=O)[O-])c1	514382079	FRQOHZOWNCPVKI-UHFFFAOYSA-N	506.610	3.059	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccc(OC(F)F)c(OC)c2)c([N+](=O)[O-])c1	514380343	IDFDVUFFCOIHCV-UHFFFAOYSA-N	531.534	3.273	5	20	KGBD	
Cc1c(NS(=O)(=O)c2ccc(NC3CCN(C(C)C)CC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	514382790	VUOOSGKODHIDLD-UHFFFAOYSA-N	528.635	3.478	5	20	KGBD	
CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1[N+](=O)[O-]	514390527	MZNZYNPNBKUNOC-LAUBAEHRSA-N	509.515	3.183	5	20	KGBD	
COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1OC	514391436	JKJMUDXQTQORQM-UHFFFAOYSA-N	540.495	3.044	5	20	KGBD	
COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1S(=O)(=O)NC1CC1	514300909	SMMLGBZGNRINDB-UHFFFAOYSA-N	528.509	3.025	5	20	KGBD	
O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1	514380250	KMENKMGVDLAQRV-QZTJIDSGSA-N	519.542	3.025	5	20	KGBD	
Cc1nn(Cc2ccc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2)c(C)c1[N+](=O)[O-]	514391651	MSNILIBSQARCDL-UHFFFAOYSA-N	503.606	3.101	5	20	KGBD	
C[C@H]1C[C@@H](C)CN(c2nnc(Sc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])n2Cc2ccco2)C1	514394524	YAHTTXSAAVJZEZ-HDICACEKSA-N	562.674	3.482	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)c([N+](=O)[O-])c1	514294198	XJPBZVVYHAZAHH-UHFFFAOYSA-N	518.592	3.267	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCN(Cc2cccc3ccccc23)CC1	514384180	POFIYVCAJQVKQV-UHFFFAOYSA-N	607.733	3.330	5	20	KGBD	
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc([N+]2([O-])CC[N+]([O-])(CCO)CC2)n1	2048528837	GNYVYOGBONGUTM-UHFFFAOYSA-N	520.015	3.325	5	20	KGBD	
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(O)nc1=O	514300427	ONDMAHSQVXGBMC-UHFFFAOYSA-N	511.583	3.404	5	20	KGBD	
CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c([N+](=O)[O-])cc1OC	514385743	SVFAQLIDKZSVJI-UHFFFAOYSA-N	518.375	3.456	5	20	KGBD	
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	514402717	LFRLSAQAPDAMPT-RTWAWAEBSA-N	515.592	3.386	5	20	KGBD	
CC(C)COCCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514401272	RCWPUSCLTLBDFI-UHFFFAOYSA-N	510.657	3.165	5	20	KGBD	
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	514293721	WYEZBTRJNPWLEX-UHFFFAOYSA-N	531.635	3.314	5	20	KGBD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccc(OC)cc1	514298938	BCQUUTUUQWLMKX-AZGAKELHSA-N	558.657	3.216	5	20	KGBD	
O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	514404703	JEYUVTDGNHKNHB-UHFFFAOYSA-N	561.970	3.412	5	20	KGBD	
CS(=O)(=O)N1CCCN([C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1	514389927	RTKHYJCJTAQFPE-LJQANCHMSA-N	511.398	3.004	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([N+](=O)[O-])c1	514402344	OMGIBMKVMUITMB-UHFFFAOYSA-N	544.630	3.088	5	20	KGBD	
COc1cc2ncn(CCCC(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c(=O)c2cc1OC	514405801	ZKUCJWYBVSZIRM-FQEVSTJZSA-N	526.546	3.301	5	20	KGBD	
COCCCN(C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(CC(C)C)c1N	514380166	XSXGPAHNMOPRDD-UHFFFAOYSA-N	516.599	3.015	5	20	KGBD	
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)n2C	514380610	OCGRVTPSESOLHG-UHFFFAOYSA-N	568.578	3.032	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	514402728	LKMRGUXDLXFMIG-UHFFFAOYSA-N	529.619	3.433	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N[C@@H](CN3CCOCC3)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1	514405028	QNTPWIFNMTYIJP-SANMLTNESA-N	587.743	3.340	5	20	KGBD	
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	514402714	LFRLSAQAPDAMPT-LEWJYISDSA-N	515.592	3.386	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)CC2)c([N+](=O)[O-])c1	514377826	KWPUKRCBIYGBDS-VWLOTQADSA-N	549.669	3.400	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)CC2)c([N+](=O)[O-])c1	514392566	YUSIMYBIPINVDF-UHFFFAOYSA-N	583.593	3.220	5	20	KGBD	
O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1	514380252	KMENKMGVDLAQRV-ZWKOTPCHSA-N	519.542	3.025	5	20	KGBD	
COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	514384528	VGLMMNVWIQPMQH-UHFFFAOYSA-N	558.535	3.029	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])n2CC	514403844	RRPAGAHFOMJDOV-UHFFFAOYSA-N	561.661	3.304	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c([N+](=O)[O-])c1	514291216	BBHRADGDMDQJPP-UHFFFAOYSA-N	571.450	3.172	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1	514296626	MQEHSOIEQLNKRQ-UHFFFAOYSA-N	507.012	3.306	5	20	KGBD	
C[C@@H]1CCCCN1CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514384866	UZDIMOMREZEWSL-OAQYLSRUSA-N	535.711	3.367	5	20	KGBD	
CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2[N+](=O)[O-])CC1	514298873	AIPCITUCFZMJBF-UHFFFAOYSA-N	540.930	3.293	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1cccs1	514380170	XYMVBZXKWCGMPJ-NRFANRHFSA-N	534.660	3.257	5	20	KGBD	
CCc1ccccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514402095	FHUJHQOYZYWJLC-UHFFFAOYSA-N	502.593	3.033	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c([N+](=O)[O-])c1	514297609	XYYBPEWTSJCHDP-UHFFFAOYSA-N	678.653	3.199	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1	514381161	ZUCHXNFXOMBROR-UHFFFAOYSA-N	500.621	3.085	5	20	KGBD	
CCC[C@H](NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1ccccc1	514299096	DIOVPYYLJTYAIC-QHCPKHFHSA-N	530.647	3.490	5	20	KGBD	
CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	514380468	LOMGGUGBESDLCD-UHFFFAOYSA-N	529.541	3.015	5	20	KGBD	
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1	514383566	GVZYIUSYSCIGQI-UHFFFAOYSA-N	504.591	3.415	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)c([N+](=O)[O-])c1	514389125	ZRTIYGZVGRVYRQ-NRFANRHFSA-N	572.688	3.218	5	20	KGBD	
Cc1c(NS(=O)(=O)c2ccc(NCCCN3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	514385558	MIUMLEFOIMHXHG-UHFFFAOYSA-N	528.635	3.481	5	20	KGBD	
C[C@@H]1Cc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ccc2N1S(C)(=O)=O	514301387	ZAWQMUCFMMIMBT-CQSZACIVSA-N	512.510	3.287	5	20	KGBD	
C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	514294444	ZWMDEAWGMHGJEV-CYBMUJFWSA-N	518.375	3.179	5	20	KGBD	
COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1	514378833	IUCIRKLXDXSFRD-XMMPIXPASA-N	558.657	3.204	5	20	KGBD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1	514295681	GALKUZURQGMXCJ-UHFFFAOYSA-N	565.674	3.067	5	20	KGBD	
CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(O)nc1=O	514294857	CLERHJRXZZRWBA-UHFFFAOYSA-N	530.611	3.212	5	20	KGBD	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	514295947	GZHJWDQLVTUBNV-SFTDATJTSA-N	517.380	3.360	5	20	KGBD	
Cc1ccc(CSCCNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1	514300110	KCZVCPFAHRLRGE-UHFFFAOYSA-N	562.714	3.190	5	20	KGBD	
CCN1CCc2nc(NC(=O)C3CCN(c4ccc(S(=O)(=O)N(CC)CC)cc4[N+](=O)[O-])CC3)sc2C1	514377451	VXSSSAZSEDNHDZ-UHFFFAOYSA-N	550.707	3.315	5	20	KGBD	
CC(C)OCCCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514296527	IOESDCXWEOGEMI-UHFFFAOYSA-N	504.565	3.153	5	20	KGBD	
COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)c(C(=O)OC)c1C	514377264	PIIMJUNCDAUMEN-UHFFFAOYSA-N	662.665	3.306	5	20	KGBD	
Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514291144	COORWVHLVVZTOI-UHFFFAOYSA-N	523.011	3.433	5	20	KGBD	
CC(=O)N1CCN(c2ccc(C(=O)N(CC(=O)Nc3cccc(C)c3C)C[C@H]3CCCO3)cc2[N+](=O)[O-])CC1	514384333	OIESDZVXLJVHFX-HSZRJFAPSA-N	537.617	3.140	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCN(c2cccc(O)c2)CC1	514390060	WOAIUYQVZBXXOA-UHFFFAOYSA-N	557.673	3.040	5	20	KGBD	
CSc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1[N+](=O)[O-]	514291406	DGCPBYMERKPYGT-UHFFFAOYSA-N	506.606	3.190	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2nc(CN3CCCCC3)cs2)CC1	514292237	IXWCEGMCJNYQLN-UHFFFAOYSA-N	507.638	3.385	5	20	KGBD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-]	514295229	DCMHUPSXNKXDTA-UHFFFAOYSA-N	536.632	3.386	5	20	KGBD	
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	514295822	HUFWULSAWBGRQR-UHFFFAOYSA-N	543.646	3.459	5	20	KGBD	
CCCCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514293028	RAYLLBZLSLDXCG-UHFFFAOYSA-N	533.632	3.496	5	20	KGBD	
COCCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514379199	PBQFPJOIZNNLJU-UHFFFAOYSA-N	501.565	3.198	5	20	KGBD	
CCCCCN(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(CCCC)c1N	514379739	XXYCBFVZZQTFAA-UHFFFAOYSA-N	530.611	3.356	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)c([N+](=O)[O-])c1	514377079	KXCZMUZNTHDTQP-UHFFFAOYSA-N	531.635	3.182	5	20	KGBD	
CC(=O)N1CCN(c2ccc(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)cc2[N+](=O)[O-])CC1	514383381	CULFRGQKZIEEAV-UHFFFAOYSA-N	536.452	3.045	5	20	KGBD	
CCc1ccc(CN(C)C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1	514380589	PXVFMZOXWFPYCT-UHFFFAOYSA-N	530.647	3.053	5	20	KGBD	
CCCOc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)c([N+](=O)[O-])cc1OCCC	514390345	GVJFGIZOEQLGTF-UHFFFAOYSA-N	548.618	3.278	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1	514291445	FHWBROPPPHLJKI-LJQANCHMSA-N	519.576	3.139	5	20	KGBD	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1ccc(S(=O)(=O)N2CCCC2)cn1	514301372	YQJDKNIOJNMOMS-UHFFFAOYSA-N	512.635	3.100	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-]	514377949	PXEQQYSEEIOFDP-LJQANCHMSA-N	605.522	3.295	5	20	KGBD	
COCCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514379370	TUCXJLVFDCIYGJ-WNSKOXEYSA-N	501.565	3.198	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	514384602	RBDZTKWZJXAMQZ-UHFFFAOYSA-N	621.782	3.333	5	20	KGBD	
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	514386207	HJMMSMBDMSRTEW-UHFFFAOYSA-N	588.712	3.437	5	20	KGBD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1	514301275	XRQUGGQBOIXHIU-UHFFFAOYSA-N	521.496	3.172	5	20	KGBD	
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21	514298895	AFTZRIKJHOSSRR-UHFFFAOYSA-N	518.548	3.103	5	20	KGBD	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(O)nc1=O	514293718	WUQLVPRLPNUENU-UHFFFAOYSA-N	611.622	3.376	5	20	KGBD	
Cc1c(NS(=O)(=O)c2ccc(NCCCOCC3CC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	514385690	RBONZHXYZYNVBD-UHFFFAOYSA-N	515.592	3.422	5	20	KGBD	
COCCN(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514379367	TUCXJLVFDCIYGJ-IQMFZBJNSA-N	501.565	3.198	5	20	KGBD	
CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[N+](=O)[O-])CC1	514383955	ICGMYXJEXQZQJX-UHFFFAOYSA-N	505.497	3.245	5	20	KGBD	
COc1cc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	514299472	GABFAXVBUZNCOG-UHFFFAOYSA-N	502.955	3.429	5	20	KGBD	
C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)cc2[N+](=O)[O-])C1	514404554	IGQZVROYECNEOX-HDICACEKSA-N	510.620	3.105	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1	514304709	XBTQJCMLQSTSCP-UHFFFAOYSA-N	549.675	3.445	5	20	KGBD	
COc1ccc(OC)c(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)c1	514404221	CLGLTNJHHZXDED-UHFFFAOYSA-N	546.646	3.319	5	20	KGBD	
C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)cc2[N+](=O)[O-])C1	514404555	IGQZVROYECNEOX-QZTJIDSGSA-N	510.620	3.105	5	20	KGBD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccc(OC)cc1	514298936	BCQUUTUUQWLMKX-AOYPEHQESA-N	558.657	3.216	5	20	KGBD	
CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c2)CC1	514383382	CUNPHAQJAGEKES-UHFFFAOYSA-N	526.619	3.035	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(C)Cc3nc(O)c4sccc4n3)CC2)c([N+](=O)[O-])c1	514393493	COOQNDHAQWGHFJ-UHFFFAOYSA-N	562.674	3.211	5	20	KGBD	
COc1ccccc1CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514293196	SDHXWDSAFDDKNO-UHFFFAOYSA-N	516.620	3.311	5	20	KGBD	
Cc1sc2nc(CN3CCN(c4ccc(S(=O)(=O)N5CCCCC5)cc4[N+](=O)[O-])CC3)nc(O)c2c1C	514390458	KPOMNQCXPHHMSY-UHFFFAOYSA-N	546.675	3.419	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	514378583	HUXGVRJWYVFORV-UHFFFAOYSA-N	690.664	3.343	5	20	KGBD	
CCCCN1C(=O)CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccc(OC)cc1	514298939	BCQUUTUUQWLMKX-RSXGOPAZSA-N	558.657	3.216	5	20	KGBD	
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc([N+]2([O-])CCN(CCO)CC2)n1	2048528806	BNKYPBIVSLENGG-UHFFFAOYSA-N	504.016	3.312	5	20	KGBD	
COc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	514377805	KAEKZSNRBABHNC-UHFFFAOYSA-N	535.522	3.374	5	20	KGBD	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1	514295944	GZHJWDQLVTUBNV-LEWJYISDSA-N	517.380	3.360	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)c([N+](=O)[O-])c1	514291107	BWNYWNXXGYWXNE-UHFFFAOYSA-N	512.535	3.189	5	20	KGBD	
CCn1c(CCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21	514390547	NQVUSBWBDQKCTB-FQEVSTJZSA-N	559.645	3.347	5	20	KGBD	
Cc1cccc(OCCNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)c1	514299395	FBAYOKKMFGQIHL-UHFFFAOYSA-N	530.647	3.489	5	20	KGBD	
CCN(CC)c1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)n2C)cc1	514390727	AWJTVAHIJJYOJP-UHFFFAOYSA-N	532.648	3.409	5	20	KGBD	
COc1ccc([C@H](C)N(C)C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1	514404642	LDTASXQGWCSAAB-IBGZPJMESA-N	546.646	3.060	5	20	KGBD	
CN(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c([N+](=O)[O-])c1	514381048	ZSPRXIZJHKPZKX-UHFFFAOYSA-N	556.972	3.028	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-]	514377948	PXEQQYSEEIOFDP-IBGZPJMESA-N	605.522	3.295	5	20	KGBD	
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	514379059	NJZIODLNQMJDTB-UHFFFAOYSA-N	512.510	3.361	5	20	KGBD	
COc1ccc(NC(=O)CCN2CCN(Cc3nc(O)c4c5c(sc4n3)CCCC5)CC2)c([N+](=O)[O-])c1	514394377	LPZGXNPFKKACKY-UHFFFAOYSA-N	526.619	3.339	5	20	KGBD	
CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC	514388134	VKVVOJVGJHYZQT-UHFFFAOYSA-N	517.482	3.168	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)c([N+](=O)[O-])c1	514303678	YAJQXYOUEVSUOS-GOSISDBHSA-N	572.434	3.187	5	20	KGBD	
COCCN(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	514379366	TUCXJLVFDCIYGJ-CMJOXMDJSA-N	501.565	3.198	5	20	KGBD	
O=C(Nc1ccccc1I)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514378802	XPEIWIXLZJKGEB-UHFFFAOYSA-N	600.435	3.075	5	20	KGBD	
CCOC(=O)c1sc2[nH]c(CSCCC(=O)NCCNc3ccccc3[N+](=O)[O-])nc(=O)c2c1C	514387849	SEPSVLOAXKCJQE-UHFFFAOYSA-N	519.605	3.230	5	20	KGBD	
CCc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)N(C)C)cc1	514377817	KRVMTGBEKIJDDO-QHCPKHFHSA-N	502.637	3.285	5	20	KGBD	
COc1cc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])cc1OC	514388778	YNWNCASLAVBCBR-UHFFFAOYSA-N	545.536	3.390	5	20	KGBD	
C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514301291	ZPIXRFGDYNRACN-IBGZPJMESA-N	516.620	3.052	5	20	KGBD	
O=C(Nc1ccccc1Cl)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514293525	RUZSGJJMEFHGAB-UHFFFAOYSA-N	508.984	3.124	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c([N+](=O)[O-])c1	514389130	AAJJFCXRQZNPOR-FQEVSTJZSA-N	521.592	3.203	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)c([N+](=O)[O-])c1	514303685	YAJQXYOUEVSUOS-SFHVURJKSA-N	572.434	3.187	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)c([N+](=O)[O-])c1	514301371	YLXPVAOUALFDKP-UHFFFAOYSA-N	526.619	3.148	5	20	KGBD	
O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514292123	KURPHYFAWUVWCK-UHFFFAOYSA-N	504.584	3.441	5	20	KGBD	
COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC	514392563	YUMSOZANKYGMTR-UHFFFAOYSA-N	507.565	3.302	5	20	KGBD	
CN(Cc1cccc(Cl)c1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514292112	KQRVUUMFUHIDGV-UHFFFAOYSA-N	537.038	3.144	5	20	KGBD	
Cc1c(NS(=O)(=O)c2ccc(NCC(C)(C)CN(C)C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	514295963	HUUCJNRBYQVUPV-UHFFFAOYSA-N	516.624	3.193	5	20	KGBD	
CC(=O)N1CCN(c2ccc(C(=O)N(C)CCOc3ccc(Br)cc3)cc2[N+](=O)[O-])CC1	514383037	BIZMAOWUXLOZJG-UHFFFAOYSA-N	505.369	3.177	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c([N+](=O)[O-])c1	514302021	ACJBPZWSBLBNPX-GOSISDBHSA-N	533.651	3.166	5	20	KGBD	
CCNc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1[N+](=O)[O-]	514404580	IQTWRKFPXAGAOX-UHFFFAOYSA-N	532.497	3.241	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CC1	514294794	CBQGSUPPOHYPBB-NRFANRHFSA-N	509.028	3.376	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c([N+](=O)[O-])c1	514391332	GZQPTLSPKONWNK-MRXNPFEDSA-N	525.653	3.331	5	20	KGBD	
CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(O)nc1=O	514379152	NJCYTLMGXXEDML-UHFFFAOYSA-N	556.542	3.154	5	20	KGBD	
C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)cc2[N+](=O)[O-])C1	514404556	IGQZVROYECNEOX-ROUUACIJSA-N	510.620	3.105	5	20	KGBD	
COc1ccc(CCNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1OC	514292000	IXDIXRKTKJBKEN-UHFFFAOYSA-N	560.673	3.362	5	20	KGBD	
CC(C)c1ccc(CN2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)N5CCOCC5)cc4[N+](=O)[O-])CC3)CC2)cc1	514381960	CDPZWWCVFKTEIA-UHFFFAOYSA-N	599.754	3.300	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3nnc(C4CC4)s3)CC2)c([N+](=O)[O-])c1	514292127	LAGDQAYUYGJABA-UHFFFAOYSA-N	508.626	3.209	5	20	KGBD	
COc1ccc([C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c(OC)c1	514385598	NQCXLEMLPVWCPY-HXUWFJFHSA-N	506.581	3.074	5	20	KGBD	
Cc1ccc(NS(=O)(=O)c2ccc(NCC(=O)NC3CCN(C(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1	514393338	XGHUCQXFFBBJTC-UHFFFAOYSA-N	503.625	3.413	5	20	KGBD	
CN(Cc1ccc2c(c1)OCCO2)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514292794	NCMWARNGTUXQOW-UHFFFAOYSA-N	558.657	3.416	5	20	KGBD	
Cc1sc2nc(CS[C@@H](C)C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nc(O)c2c1C	514296474	QKQLMUFTQHWTQP-HNNXBMFYSA-N	551.672	3.077	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c([N+](=O)[O-])c1	514380704	UFZXRDRHJXGLEO-UHFFFAOYSA-N	547.653	3.330	5	20	KGBD	
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1	514402719	LFRLSAQAPDAMPT-SFTDATJTSA-N	515.592	3.386	5	20	KGBD	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514292671	NXFUTTWNUIBALO-UHFFFAOYSA-N	627.642	3.127	5	20	KGBD	
COCCCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1c(O)nc(=O)n(CC(C)C)c1N	514296308	OBSDKABVNNAXIB-UHFFFAOYSA-N	570.569	3.400	5	20	KGBD	
Cc1ccc(C)c(OCc2nnc(Sc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])o2)c1	514299717	PESAOQNXDJVXET-UHFFFAOYSA-N	519.605	3.261	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1	514376826	HPKRIPSWBIVSCH-UHFFFAOYSA-N	500.621	3.270	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCc3nc(O)c4c5c(sc4n3)CCC5)CC2)c([N+](=O)[O-])c1	514392785	BTAYUTMDSDOVRY-UHFFFAOYSA-N	588.712	3.106	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c([N+](=O)[O-])c1	514297132	SIEMSDOFVBDVIF-XMMPIXPASA-N	579.745	3.093	5	20	KGBD	
O=C([C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCCC1	514390737	UOQUQFTVFQYCRC-DEOSSOPVSA-N	541.630	3.133	5	20	KGBD	
CNC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)c1	514395488	LSVUISIJOWHTRK-UHFFFAOYSA-N	544.634	3.376	5	20	KGBD	
NS(=O)(=O)c1ccc(NCCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c([N+](=O)[O-])c1	514387753	QCZSMSYJCYVYOZ-UHFFFAOYSA-N	501.487	3.302	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c([N+](=O)[O-])c1	514294313	ZYQWMIRQPXUIQB-UHFFFAOYSA-N	543.690	3.186	5	20	KGBD	
COCCN(C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N	514377735	HBUMAEWZCUMCTF-RTBURBONSA-N	550.616	3.263	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)N(Cc1cccs1)C[C@@H]1CCCO1	514301400	ZPLUJOOGVPZERF-NRFANRHFSA-N	578.713	3.101	5	20	KGBD	
O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	514378555	HIADELZQVOGOOJ-UHFFFAOYSA-N	625.047	3.201	5	20	KGBD	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1	514403625	WECJIFCAMKOVLK-UHFFFAOYSA-N	525.631	3.482	5	20	KGBD	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1	514293174	RHMDCZOHAVZOGI-UHFFFAOYSA-N	532.619	3.190	5	20	KGBD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccc(OC)cc1	514298934	BCQUUTUUQWLMKX-AHWVRZQESA-N	558.657	3.216	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2Br)c([N+](=O)[O-])c1	514290827	AMSIFYWVAYWNMI-UHFFFAOYSA-N	514.398	3.425	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(OC)c(Br)c(OC)c3)CC2)c([N+](=O)[O-])c1	514387931	OEWBZIVGOXYGAN-UHFFFAOYSA-N	585.477	3.367	5	20	KGBD	
C[C@H]1Cc2cc(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ccc2N1S(C)(=O)=O	514301386	ZAWQMUCFMMIMBT-AWEZNQCLSA-N	512.510	3.287	5	20	KGBD	
CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c2cnn(C(C)C)c2n1	514404960	ORQRNUFTMAHQRR-UHFFFAOYSA-N	500.581	3.191	5	20	KGBD	
CC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	514401325	UDJCUORBVNUDGI-SBUREZEXSA-N	529.619	3.035	5	20	KGBD	
CCN1CCN(c2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1	514300071	RTUJNRPFJFINFM-UHFFFAOYSA-N	515.636	3.085	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1	514301047	WYESLUWICJYJEM-UHFFFAOYSA-N	572.471	3.011	5	20	KGBD	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c(C)c1	514380267	KSFBHGUZQLCPSR-UHFFFAOYSA-N	500.621	3.270	5	20	KGBD	
CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	514382355	KPMSBFJJSQOHOA-UHFFFAOYSA-N	519.624	3.028	5	20	KGBD	
CCC[C@@H](NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)c1ccccc1	514299095	DIOVPYYLJTYAIC-HSZRJFAPSA-N	530.647	3.490	5	20	KGBD	
CC(C)OC(=O)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1[N+](=O)[O-]	514390529	MZNZYNPNBKUNOC-UWJYYQICSA-N	509.515	3.183	5	20	KGBD	
CCCCN1C(=O)CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[C@H]1c1ccccc1OC	514302455	FIDVQVMVBHEPAQ-HFZDXXHNSA-N	558.657	3.216	5	20	KGBD	
COc1ccc([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)c(OC)c1	514385597	NQCXLEMLPVWCPY-FQEVSTJZSA-N	506.581	3.074	5	20	KGBD	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)ccc1C	514293336	TUBCLIZZTILALR-UHFFFAOYSA-N	552.675	3.282	5	20	KGBD	
C[C@H]1CCCCN1CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514384865	UZDIMOMREZEWSL-NRFANRHFSA-N	535.711	3.367	5	20	KGBD	
COC(=O)c1sccc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514403660	XLUXZFLNGLNVRU-UHFFFAOYSA-N	536.632	3.473	5	20	KGBD	
O=C(NCCc1nc2ccccc2[nH]1)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514299971	JMKHIQOUQDZGJP-UHFFFAOYSA-N	540.646	3.221	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(OC)c3OC(F)F)CC2)c([N+](=O)[O-])c1	514376996	JSLYQLHIINDYRB-UHFFFAOYSA-N	542.561	3.198	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(c4cccc(OC)c4)CC3)CC2)c([N+](=O)[O-])c1	514292708	PFOCPYAPKZMCDK-UHFFFAOYSA-N	559.689	3.199	5	20	KGBD	
CC(C)Nc1ccc(S(=O)(=O)NCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1[N+](=O)[O-]	514302041	AILWWLORDJAXHG-OAHLLOKOSA-N	510.642	3.021	5	20	KGBD	
O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	514297619	VRWTWAYMWZASAW-UHFFFAOYSA-N	520.633	3.337	5	20	KGBD	
O=C(NCC1(c2ccccc2)CCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514301691	CBSCXGUNTIULCP-UHFFFAOYSA-N	556.685	3.460	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCCN(C(C)C)C(C)C)CC2)c([N+](=O)[O-])c1	514296362	OTKVABGJDVUEIJ-UHFFFAOYSA-N	511.689	3.077	5	20	KGBD	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	514379113	MAXQJTFSXGUCFE-FQEVSTJZSA-N	575.496	3.286	5	20	KGBD	
Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	514405144	QSLITVPSZGNLEA-UHFFFAOYSA-N	564.686	3.336	5	20	KGBD	
O=C(C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)N1CCN(c2ccc(F)cc2)CC1	514296673	OOKDTBNSJSJGCI-UHFFFAOYSA-N	559.664	3.474	5	20	KGBD	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)NCC2(N(C)C)CCCCC2)ccc1OC	514296814	OIODQXLVANEXPD-UHFFFAOYSA-N	520.608	3.407	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)CC2)c([N+](=O)[O-])c1	514301320	ZWULDRCBOHTKFN-UHFFFAOYSA-N	568.656	3.445	5	20	KGBD	
CCCn1c(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)nc2ccccc21	514297400	VVJPUSFDIVLBSI-UHFFFAOYSA-N	556.645	3.231	5	20	KGBD	
COc1cc(CCNC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC	514390071	WZCIHBAAICCVBQ-UHFFFAOYSA-N	519.498	3.048	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1[N+](=O)[O-]	514377831	LBTDMKITTILBPR-UHFFFAOYSA-N	591.996	3.420	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1	514291443	FHWBROPPPHLJKI-IBGZPJMESA-N	519.576	3.139	5	20	KGBD	
O=C(O)c1ccc(CNC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1	514301326	ZXOOEVIBSSHSAE-UHFFFAOYSA-N	530.603	3.000	5	20	KGBD	
CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2cnn(C(C)C)c2n1	514299461	GREWVAVXFPYWPF-UHFFFAOYSA-N	500.581	3.191	5	20	KGBD	
C[C@@H]1C[C@@H](C)CN(c2nnc(Sc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])n2Cc2ccco2)C1	514394525	YAHTTXSAAVJZEZ-QZTJIDSGSA-N	562.674	3.482	5	20	KGBD	
Cc1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c2c(C)c(C)sc2n1	514378471	FYWKNLXMTMVNAP-UHFFFAOYSA-N	521.646	3.150	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)c([N+](=O)[O-])c1	514291481	FCNUMXAPJOKNRJ-UHFFFAOYSA-N	547.659	3.022	5	20	KGBD	
O=C(NCCCSc1ccccc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514380483	NYIPMEMGIRONQX-UHFFFAOYSA-N	548.687	3.131	5	20	KGBD	
CCCCn1c(CCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514382621	SLUCSAWVFDQZDQ-UHFFFAOYSA-N	515.592	3.337	5	20	KGBD	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1	514295945	GZHJWDQLVTUBNV-NHCUHLMSSA-N	517.380	3.360	5	20	KGBD	
CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1[N+](=O)[O-]	514391883	PQGLVPCQRAOUML-QGZVFWFLSA-N	549.510	3.467	5	20	KGBD	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	514295658	FWVOGPALYIHISK-UHFFFAOYSA-N	602.714	3.287	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CCC(=O)Nc3ccccc3Cl)CC2)c([N+](=O)[O-])c1	514392489	WUTRVUNDCWXWPF-UHFFFAOYSA-N	524.043	3.430	5	20	KGBD	
CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCOCC3)ccc21	514291019	BZOAFANZPYOQRO-OAHLLOKOSA-N	519.605	3.105	5	20	KGBD	
O=C(Nc1cccc(Cl)c1F)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	514291548	GAGXJBURYRBCFI-UHFFFAOYSA-N	526.974	3.263	5	20	KGBD	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1	514304711	XBXSPONOWVOUOB-UHFFFAOYSA-N	502.549	3.486	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)N(CCN(C)C)Cc3ccccc3)CC2)c([N+](=O)[O-])c1	514301399	ZOTGIBHTRVXBKT-UHFFFAOYSA-N	545.706	3.432	5	20	KGBD	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	514291232	BXVPWIUXVBEZLC-UHFFFAOYSA-N	518.592	3.113	5	20	KGBD	
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1	514402715	LFRLSAQAPDAMPT-NHCUHLMSSA-N	515.592	3.386	5	20	KGBD	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)CC2)c([N+](=O)[O-])c1	514385375	FZCMUNHFTMLVEM-UHFFFAOYSA-N	564.064	3.368	5	20	KGBD	
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	514299457	FUMFZTOXWGFOHY-UHFFFAOYSA-N	556.563	3.167	5	20	KGBD	
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c(O)nc1=O	514295093	GSEOIAXCSKBCEN-UHFFFAOYSA-N	598.682	3.182	5	20	KGBD